ChemMedChem

Cover image for Vol. 12 Issue 2

Editorial Board Chairs: Antonello Mai, Rainer Metternich. Assoc. Editors: David Peralta, Scott Williams (Sr)

Impact Factor: 2.98

ISI Journal Citation Reports © Ranking: 2015: 18/59 (Chemistry Medicinal); 77/255 (Pharmacology & Pharmacy)

Online ISSN: 1860-7187

Associated Title(s): Angewandte Chemie International Edition, Chemistry - A European Journal, Chemistry – An Asian Journal, ChemBioChem, Medicinal Research Reviews, Molecular Informatics

Notice to Authors

General Information

ChemMedChem is a medicinal chemistry journal co-owned by ChemPubSoc Europe, a group of European chemical societies, and published by Wiley-VCH. Contributions in ChemMedChem cover medicinal and pharmaceutical sciences, drug design and discovery, drug development and delivery, molecular modeling, combinatorial chemistry, target validation, lead generation, ADMET studies, and more. ChemMedChem typically covers topics on small molecules, therapeutic macromolecules, peptides, peptidomimetics, and aptamers, protein–drug conjugates, nucleic acid therapies, and beginning 2017, nanomedicine, particularly 1) targeted nanodelivery,2)theranostic nanoparticles, and 3) nanodrugs. ChemMedChem publishes Communications, Full Papers, Reviews, Minireviews, Patent Reviews, Viewpoints, Essays, Highlights, Concepts, Conference Reports, and Book Reviews. Except for original research papers, the other article types are generally written upon invitation. Unsolicited manuscripts, however, are welcome, as long as they fit into the scope of the journal.

There are no charges associated with publishing in ChemMedChem. Authors wishing to use color are free to do so without charge. ChemMedChem does offer an open access option, OnlineOpen, and further details are available via www.chemmedchem.org/open.

Editorial Policies and Author Responsibilities

ChemMedChem does not publish manuscripts that have already appeared in print or electronically. The author must inform the Editor of manuscripts submitted, soon to be submitted, or in press at other journals that have a bearing on the manuscript being submitted to ChemMedChem. The Ethical Guidelines for Publication in Journals and Reviews issued by the European Association of Chemical and Molecular Sciences are followed and applied by the Editors of ChemMedChem. In particular, authors should reveal all sources of funding for the work presented in the manuscript and should declare any conflicts of interest. All manuscripts submitted to the journal are screened by antiplagiarism software (iThenticate).

Authors should declare any conflict of interest in their letter to the editor, for example support of the research by companies who stand to profit from publication of the results. If the authors have no conflict of interest to declare, they must also state this at submission. It is the responsibility of the corresponding author to review this policy with all authors and to list in the online submission system all pertinent relationships. Should the manuscript be accepted, the information provided in the online submission system will be included in the published manuscript. Honorary authorship is forbidden, i.e., all co-authors of a submitted paper must have contributed significantly to the work being described and/or to the writing of research proposals or the manuscript. The contributions of each author should be specified as "Contributor Roles" when all other information on the authors is entered into the Editorial Manager submission system. Every author must be informed about the submission and must have agreed to the submitted version.

We encourage all authors to provide an ORCID identifier for each coauthor. ORCID (Open Researcher and Contributor ID) is a registry that provides researchers with a unique digital identifier. Some funding agencies recommend or even require the inclusion of the ORCID in all published articles, and authors should consult their funding agency guidelines for details. Registration is easy and free (for further information, see http://orcid.org/).

For authors preparing a research article reporting mainly computational medicinal chemistry, for example, molecular modeling and quantitative structure–activity relationship (QSAR) studies, or even chemoinformatics studies, please see our specific editorial policy toward manuscripts with computational work before submitting their work.

With the exception of Book Reviews and Conference Reports, all manuscripts that are suitable for consideration will be peer reviewed and, if accepted for publication, edited with a view to clarity, brevity, and consistency. Authors are welcome to suggest referees, although this is not a requirement of submission. Authors suggesting potential reviewers or indicating opposed reviewers should do so in the appropriate step of the submission process to avoid any inadvertent oversight.

If a manuscript was previously submitted to Angewandte Chemie, Chemistry–A European Journal, European Journal of Organic Chemistry, ChemBioChem, or any other of ChemMedChem′s sister journals, then please state the manuscript number of the previous submission when prompted during the submission process. If the manuscript was evaluated by reviewers, we ask that authors provide a detailed point-by-point response and adjust the manuscript where appropriate. As we hold the same high standards as our sister journals and cater for a broad readership, many of the comments made by the reviewers may also be applicable to this submission. Alerting us to any previous version may facilitate evaluation of the article.

Manuscript Submission

To submit a manuscript to ChemMedChem, authors will need to login in to Editorial Manager, accessible either through our homepage (www.chemmedchem.org) via the "Submit an Article" link or directly via www.editorialmanager.com/cmdc; an author may use the same login details as for all other ChemPubSoc Europe journals. Authors registering for the first time in Editorial Manager are asked to characterize their main research interests using keywords from the Keyword List for Authors and Reviewers (see our Keyword List guidelines for details). When submitting a manuscript, authors are also asked to select keywords from the same list to describe the scope of the submission.

For the initial submission of a manuscript, authors are asked to prepare their manuscript taking into consideration optimal presentation for the Editors and Reviewers. Authors should prepare a single manuscript file (allowed formats: Word, RTF, Postscript, PDF) containing all Schemes, Figures, Tables, etc. These elements should be integrated into the text (i.e., inserted where first mentioned), to facilitate evaluation of the article by the Editor and Reviewers. The submitted manuscript should be complete, easily navigated, and devoid of careless mistakes, such as typographical errors or misnumbering of figures etc.

Supporting Information, crystallographic CIF files, and any other additional materials should also be provided during the submission process. A cover letter should be included, and we ask that it include a short text justifying why an article should be published in ChemMedChem.

Submission templates are provided via the journal′s homepage. These templates are intended to assist authors in preparing their manuscript for peer review, ensuring the Editor and Reviewers are presented with a concise, well-formatted manuscript for evaluation. ChemMedChem does not require the use of a submission template, but does ask authors to think carefully when preparing their manuscript for submissionevery effort should be made to ensure that the manuscript is easy to read, navigate, and evaluate.

Please note that the submitting author, whenever possible, should be the correspondence (*) author. When this is not possible, a co-author may submit the manuscript to the Editorial Office, but we request that the correspondence (*) author sends an independent e-mail to chemmedchem@wiley-vch.de authorizing the co-author to act on their behalf.

When the files are ready for submission, authors should go to www.editorialmanager.com/cmdc and login as an "Author". Click on "Submit a Manuscript" and follow the step-by-step instructions. Please note that authors are required to view the generated PDF and confirm that it is suitable before the submission process can be completed.

If, for any reason, an author is unable to use our online submission site, then the manuscript may be sent to us as a single PDF file along with any Supporting Information and the cover letter via e-mail to chemmedchem@wiley-vch.de; in this eventuality, the Editorial Office will upload the manuscript internally and then request that the author completes the submission by checking the PDF for accuracy.

Please note, online submission is greatly preferred, as this will considerably speed up the manuscript-handling process.

Types of Contribution

1. Communications and Full Papers

Communications and Full Papers present results of experimental or theoretical studies of general interest or great importance to the development of a specific area of research. A short text justifying why the manuscript should appear in ChemMedChem should be included in the Cover Letter provided upon submission. The quality of original research contributions is usually assessed by two or more independent referees. Detailed information that could be of importance to the referees, but that is unlikely to be of interest to the reader can be submitted as an enclosure or clearly marked as Supporting Information. Only articles that have already been published in a scientific journal should be cited. The citation should be fair and informative but not excessive. Copies of cited publications not yet available publicly should be submitted along with the manuscript. Unpublished results and lectures should only be cited in exceptional circumstances.

Inclusive of all references, footnotes, and tables, a Communication should be no longer than approximately 15000 characters. Communications require an Abstract, which should be concise (1000 characters excl. spaces) and not too technical, and should stand alone. Chemical formulae, figures, and schemes may also be added. Longer Communications will be accepted only if their quality warrants special consideration, and a written justification of their length is provided. Communications should not be divided into sections. However, experimental details can be succinctly summarized separately under the heading Experimental Section. Please note, only pertinent experimental information should be included in this section, and any additional experimental data should be detailed in the Supporting Information. Click here for details about Experimental Section requirements. The main text of a Communication should start by giving an introduction to enable readers unfamiliar with the subject to become acquainted with the importance of the results presented. In the final paragraph the results should be summarized succinctly, and one sentence should be devoted to their significance and, if appropriate, to remaining challenges.

Full Papers, which generally contain an Experimental Section (see our detailed Experimental Section requirements), have no length restrictions. However, the Editorial Office requests that space be used thoughtfully and economically. ChemMedChem will not publish Full Papers that consist mainly of results reported in previous Communications with an added experimental section. Full Papers contain an Abstract, which should be concise (1000 characters excl. spaces) and not too technical, and an Introduction including relevant references. The presentation of Results and Discussion may be combined or kept separate. These sections may be further divided by subheadings. The main text of a Full Paper should close with a Conclusions section, summarizing the key findings and future directions.

2. Reviews

Reviews deal with topics of current interest in any of the areas covered by ChemMedChem. Rather than an assemblage of detailed information with a complete literature survey, a critically selected treatment of the material is desired. Unsolved problems and possible developments should also be discussed.

Reviews should be divided into (numbered) sections. Cross-references in the text refer to these section numbers. The review starts with a Lead-in/Abstract (1000 characters excl. spaces). This text should not be a mere summary; rather, it should arouse the readers′ interest. The Introduction should introduce the nonspecialist to the subject as clearly as possible. A Review should conclude with a Summary and Outlook section, in which the achievements and new challenges for the subject are presented succinctly. In addition, a biographical sketch (500–700 characters excl. spaces) and a portrait-quality black-and-white photograph of each author, as well as a graphical suggestion for a full-page picture (Frontispiece) to face the first page of the review article, should be submitted. Please note that publication of a color frontispiece carries a charge of €495 (including tax).

A Review should consist of a maximum of approximately 65000 characters (excl. spaces) of main text, footnotes, literature citations, tables, and legends.

3. Minireviews

A Minireview introduces the reader to a particular area of an author′s research through a concise overview of a selected topic. The content should balance scope with depth, and references to important works from others that are significant to the topic, should be included.

As a Minireview is much more focused than a Review, it is shorter (approximately 25000 characters excl. spaces) and does not contain a frontispiece or biographical sketch(es). However, it should still have an Abstract (1000 characters excl. spaces) that should similarly arouse the readers′ interest.

4. Patent Reviews

Patent Reviews offer a summary and discussion of selected patents that fall within the scope of the journal. The patents discussed can be related by a similar compound class, a similar target pathway/disease, or similar mechanisms of action.

Similar to regular Review articles, rather than a simple collection of detailed information with a complete literature survey, a critical treatment of the material is desired. Authors are expected to be objective in their selection and evaluation of the patents, and must not focus solely on their own research. Discussions of single patents are not permitted. All patents discussed must be relatively new (granted only within the past 1–4 years).

Patent Reviews should contain a brief Abstract, which should provide the background of the compound class or targeted disease/mechanism and give the reader an indication of these related patents are worthy of highlight. The Patent Review should begin with an Introduction which gives the background of the compound class and the targeted disease/pathway. The Patent Discussion section should then have the crucial information on the patents. Authors should discuss their relevance/significance within the broader field of drug development or the disease in question. The patent history and any updates should be mentioned here as well, especially for key compounds that have reached clinical trials (whether they succeeded or not). Authors should provide their own critique and commentary on the patents and not just have a simple listing. The final section should be the Outlook, where authors share their own thoughts on future directions regarding these patents/compounds.

The length of a Patent Review is flexible and will depend on the number of recent related patents chosen by the author. As such, it can have the same length as a Minireview (~25000 characters, excl. spaces), or as broad as a regular Review (~65000 characters excl. spaces). In addition, an abstract (1000 characters excl. spaces), a biographical sketch (500–700 characters excl. spaces), and a portrait-quality photograph of each author should be provided. Patents must be cited according to the format shown below (see section below on Manuscript Organization/References)

Authors who wish to write a Patent Review should propose their topic and the planned scope/outline to the Editorial Office before writing a manuscript.

5. Highlights

In the Highlights section, very important new results of original research are described, in general by a third person, with a view to highlight their significance. The results should be presented clearly, but as succinctly as possible, without the comprehensive details required for an original article. Highlights may be organized as the author wishes, but should not be more than approximately 8500 characters (excl. spaces) in length. Highlights should contain a brief Abstract (600–800 characters excl. spaces), which should summarize the work being highlighted and give the reader an indication of why it is worthy of highlight. Chemical formulae, figures, and schemes should be restricted to important examples, and the number of references kept to a minimum.

6. Concepts

Concepts are short articles that emphasize the general concepts that have guided important developments in a specific area and their implications for future research. The reference section should only include the key papers that have contributed to conceptual advances in the field under review, rather than being fully comprehensive. The author should aim to provide the nonspecialist reader with a useful guide and the expert with a new angle on a familiar problem. Concept articles may be organized as the author wishes, but should include a short Abstract (approximately 600–800 characters excl. spaces) that succinctly describes the concepts under discussion. Articles should consist of approximately 17000 characters, including references, tables, and legends. The liberal use of schemes and figures is encouraged.

7. Viewpoints and Essays

Opinion-based articles on topics of high current interest are also published in ChemMedChem. These articles should contribute to the scientific discussion in an important area of medicinal chemistry.

Viewpoints are opinion-based contributions used to give an Author′s own thoughts on important developments in a specific area and the implications for future research. Viewpoints may be controversial, and while the Author should put forward their own point of view, they should not ignore the counter arguments but rather refute them through discussion. In Essays, themes from every aspect of medicinal chemistry, including the philosophy or history of the field, can be addressed freely. Both contributions have a brief Abstract (600–800 characters excl. spaces), and should be restricted in length (15000–17000 characters excl. spaces).

8. Conference Reports, Correspondence, etc.

Reports on recent events and comments on publications in ChemMedChem are welcome if they contribute to the scientific discussion in the field. Authors interested in preparing such a contribution should contact the Editor to discuss this further (chemmedchem@wiley-vch.de).

9. Book Reviews

Reviews of books are written on invitation. Suggestions for books to be reviewed and for reviewers are welcome. Publishers should send brochures or, preferably, the books directly to the Editorial Office. Unsolicited books will not be returned.

10. Cover Pictures

Suggestions for the Front, Back and Inside cover pictures (183 mm wide×172 mm high) with an explanatory text (700–600 characters) beginning with "The cover picture shows..." are welcome. The cover pictures are chosen by the Editor shortly before an issue is to be published. Charges apply, and details are provided upon selection of the cover pictures.

11. General Notes for All Contribution Types

a) Titles and Abstracts

To ensure discoverability of an article when published, authors should take care when drafting their Abstract and deciding on the wording of their Title.

The title should be as succinct as possible and without a reference. Words such as ′new′, ′novel′, and ′first′ in the title should be avoided. The title should be restricted to no more than 180 characters and be as informative as possible without being over complicated. Key words and phrases should be used in the title and repeated in the abstract as appropriate.

For Full Papers and Communications, the Abstract should describe the motivation for the work, the methods applied, the key results, and the conclusions drawn. The Abstract for other contribution types should summarize the topic under discussion, the main findings and arguments, and place the article into context. Abstracts for Full Papers, Communications, Reviews and Minireviews should be approximately 1000 characters (excl. spaces) in length, while the Abstracts of Concepts, Essays, Highlights and Viewpoints should be around 600–800 characters. In all cases, when preparing the Abstract, please keep the following aspects in mind:

1) The abstract should awaken the curiosity of as many readers as possible.

2) The abstract should reflect the content of the paper, and the text should contain several keywords to aid finding the paper online.

3) The abstract must stand alone and should contain neither hints to graphical elements or tables in the paper nor to references, etc., as the abstract will be found and read independently, in databases such as PubMed, for example. Furthermore, bold-face compound numbers, while permitted, must be defined to allow the reader to mentally visualize the compound structure being discussed.

4) Please restrict the use of abbreviations to a minimum.

b) Table of Contents Entry

For all types of contribution, a graphical Table of Contents entry is included in both EarlyView and in the final Issue. A short text for the Table of Contents should be included upon submission. This text should be about five lines (approximately 300 characters excl. spaces) in length and formulated to arouse curiosity. Repetition or paraphrasing of the title and presentation of experimental details should be avoided. In addition, a color graphic to accompany the text should also be provided; the use of color in the Table of Contents is free of charge and strongly encouraged. Pictures should be kept small (5 × 5.5 cm) with minimum detail. We advise restricting the use of text in the graphic and avoiding large complicated schemes.

Accepted Articles, Galley Proofs, and Reprints

Authors have the option to have their unedited manuscripts posted online immediately after acceptance. These articles are published as "Accepted Articles" shortly after authors upload the final version. Note that these versions have not gone through any professional copy editing or typesetting. The Accepted Articles are eventually replaced by the final version of record, after the galley proofs have been corrected.

The author who submitted the article, which should ideally be the correspondence (*) author (see above), will receive galley proofs as both a compressed PDF file and a Word file. Corrections may be included either as comments in the PDF or as tracked changes in the Word document. Corrections should be returned to the Editorial Office via Editorial Manager within two days.

Upon publication in an issue, the main correspondence author will also receive a reprint PDF file, restricted to 25 printouts, free of charge. Additional reprints may be purchased, and an order form is provided along with the galley proof files.

Supporting Information

Authors may provide Supporting Information upon submission; if the manuscript is accepted, the file(s) will be made available online via Wiley Online Library. In this event, the author should keep a copy to make available to readers who do not have internet access. This material is peer-reviewed and must therefore be included with the original submission.

After acceptance, the Supporting Information should be submitted as a single separate PDF file, exactly as the author wishes it to be presented to the reader, along with the final revised version of the manuscript (note: for production purposes, only in the Supporting Information should the graphics be present as imports in the PDF file and not as separate files). Please do NOT include a Title/Authors page, as a cover page will be generated automatically during production.

Supporting Information should not include crystallographic or sequence data that are available from the relevant databases. Animated multimedia applications, Excel sheets containing database entries, or other supplementary materials are also welcome as Supporting Information. Authors reporting novel compounds together with biological data may choose to facilitate reviewer and reader export of the structures by providing simplified molecular input line entry system (SMILES) or international chemical identifier (InChI) strings in an appropriate file format (e.g., .csv).

Preparation of Manuscripts

We have detailed guidelines to assist our authors in preparing their manuscript for submission to ChemMedChem. We strongly encourage authors to adhere closely to these guidelines, as it significantly facilitates the peer-review process.

Note, authors of accepted manuscripts, when preparing their manuscript for publication, should refer to the specific requirements for the preparation of production materials.

The requirements for production purposes are quite different to those for submission (peer review), thus we ask authors to pay close attention to each set of guidelines.

Contact Information

Regular mail: ChemMedChem, Postfach 101161, 69451 Weinheim, Germany


Courier services: ChemMedChem, Boschstrasse 12, 69469 Weinheim, Germany

Telephone: (+49)6201-606-351


Fax: (+49)6201-606-331 or -328


E-mail: chemmedchem@wiley-vch.de


Homepage: www.chemmedchem.org


Social media: www.facebook.com/chemmedchem; www.twitter.com/chemmedchem

Keyword List Guidelines

A Keyword List has been developed for the readers of Wiley-VCH journals.

To enable this option, the editors of these journals have compiled a common keyword catalogue. This catalogue is subdivided to facilitate the search for keywords but can also be completely searched. Some of the keywords are used in more than one area. As with all such records, a few guidelines facilitate its use, and these are briefly explained below:

1. At least two of the maximum of five keywords assigned to an article must come from this list.

2. Named reactions will be incorporated only in exceptional cases. Generally the reaction type is selected instead. For example, Diels–Alder reactions will be found under "cycloadditions" and Claisen rearrangements under "rearrangements".

3. Heteroanalogues of compounds are mainly classified under the C variants, for example, (hetero)cumulenes, (hetero)dienes. A few aza and phospha derivatives are exceptions.

4. Compounds with inorganic components that are central to the article are listed under the element, for instance, iron complexes under "iron" and, if appropriate, the ligand type. Some group names such as "alkali metals" exist alongside the names of important members of the group, for example, "lithium". In such cases the group name is used for these members only when comparative studies are described. The members that do not appear separately are also categorized under the group name.

5. A keyword in the form "N ligand" is only chosen if a considerable portion of the paper deals with the coordination of any ligand that coordinates through the atom concerned (in the example, nitrogen).

6. Spectroscopic methods are assigned as keywords only if the article is about the method itself or if the spectroscopic technique has made an important contribution to the problem under investigation.

7. "Structure elucidation" is intended only if the crux of the paper is a structural elucidation or if a combination of several spectroscopic techniques were needed for conclusive solution of the structure.

8. An attempt has been made to avoid synonyms and to select more general concepts rather than specialized terms. Thus the term "double-decker complexes" is excluded in favor of "sandwich complexes". See also points 3 and 4 above.

9. Enzymes should be assigned to one of the six main enzyme classes (hydrolases, isomerases, ligases, lyases, oxidoreductases, transferases).

This list is a "living" catalogue, flexible enough to absorb new developments in chemistry. We therefore welcome all suggestions from our readers and authors that might improve its user-friendliness. The current version of the Keyword List can be found online.

Experimental Sections

Length

Experimental Sections (applicable to Full Papers and Communications only) should be given in sufficient detail to enable others to repeat the work described. Experimental Sections have no length restrictions in Full Papers. However, the Editorial Office requests that space be used thoughtfully and economically. Additional experimental details supplementary to those described in the article should be provided as Supporting Information, which will be made accessible on Wiley Online Library. Long lists of characterization data (e.g., for 20 or more compounds) should be placed in the Supporting Information. A short paragraph summarizing the contents of the Supporting Information should then take its place in the main article. ChemMedChem will not publish Full Papers that consist mainly of results reported in previous Communications with an added experimental section.

If a crystal structure analysis or sequence determination is not an essential part of a manuscript, only a footnote is required indicating where the detailed results can be found. This can be a separate publication or a freely accessible database.

Compound Characterization and Purity

For all new compounds reported in the Experimental Section, sufficient characterization data should be provided to unambiguously identify the structure and to allow identification through comparison by others.

In general, we encourage authors to include as much characterization data as possible for all compounds described, including but not limited to any/all of the following: 1H NMR, 13C NMR, IR, UV/Vis, MS and HRMS data, elemental (combustion) analysis, melting point ranges for solids, Rf values with solvent details. Specific rotation ([α]D20) values should be given for all optically active compounds described.

Those compounds used in biological testing, whether synthesized or obtained from other sources (e.g., commercial), should possess a purity of no less than 95%. Purity may be determined by any established method (e.g., HPLC, elemental analysis with accuracy within ±0.4%). The purity should be stated, along with the method used to determine it, in the Experimental Section and if appropriate, evidence can be provided in the Supporting Information.

Equipment and Software

Equipment (including make, model, and manufacturer if uncommon), and details of any software used (including version, release date if applicable, and developer) and conditions used for the measurement of physical data, as well as any organisms, proteins, or nucleic acids used, should be described at the beginning of the Experimental Section. Sources of less-common starting materials must be given, and solvent details should also be described.

Compound names

In so far as is practical, authors should use a systematic name for each title compound in the Experimental Section (as suggested by IUPAC, IUBMB, or Chemical Abstracts) followed by the compound number. Please do not use computer programs to generate elaborate systematic names or use extremely long compound names.

When describing the protocol for the synthesis of a given title compound, the full name followed by the compound number in parentheses should be given in bold. When referring to the compound in the running text of the protocol, parentheses for the compound number should be used only if the name identifies the compound uniquely and unambiguously (for example: "...2-ethyl-4-cyanobenzoate (7) was added to..." or: "...cyanobenzoate 7 was added to..."). For the sake of clarity general descriptors such as compound 1, dendrimer 2, or alcohol 3 should be used in the running text rather than the full systematic name.

General Comments and Format

Quantities of reactants, solvents, etc. should be included in parentheses rather than in the running text (e.g., "Triphenylstannyl chloride (0.964 g, 2.5 mmol) in toluene (20 mL)..."). Physical data (in SI units whenever possible) should be quoted with decimal points and negative exponents (e.g., 25.8 JK−1mol−1). Products should be described, and yields should be given as both a quantity (mol or g) and in percent (e.g., "...compound 7 as a white powder (34 mg, 89%)...").

Data in the Experimental Section should be carefully and consistently formatted according to the journal style. Examples: "...gave compound 7 as a white powder (34 mg, 89%): Rf=0.38 (CHCl3/MeOH 9:1); mp: 70–71°C; [α]D20=−13.5 (c=0.2 in acetone); 1H NMR (400 MHz, CDCl3): δ=0.97 (t, J=8.2 Hz, 3H), 1.35 ppm (q, J=8.1 Hz, 2H); 13C NMR (75 MHz, [D6]DMSO): δ=8.9, 27.3, 56.8, 64.2, 170.3 ppm; IR (KBr): \tilde{\nu }=3248, 3056, 1790, 1780, 1506, 1493 cm−1; UV/Vis (CH2Cl2): λmax (ε)=320 (5000), 270 nm (12000); MS (EI, 70 eV) m/z (%): 173 (32), 171 (100) [M+H]+; HRMS-FAB m/z [M+H]+ calcd for C8H7ClO2: 171.0135, found: 171.0142; Anal. calcd for C8H7ClO2: C 56.32, H 4.14, O 18.76, found: C 56.35, H 4.11, O 18.79. Please give data in this order.

Animal and Human Subjects

Manuscripts containing animal experiments must include a statement that permission was obtained from the relevant national or local authorities. The institutional committees that have approved the experiments must be identified and the accreditation number of the laboratory or of the investigator given where applicable. If no such rules or permissions are in place in the country where the experiments were performed, then this must also be clearly stated.

Manuscripts with experiments with human subjects or tissue samples from human subjects must contain a disclaimer in the Experimental Section to state that informed signed consent was obtained from either the patient or from next of kin.

Structure and Sequence Data

Prior to manuscript submission, the author(s) must deposit the following information in the appropriate databases: the data of X-ray structure analyses of inorganic and organic compounds, proteins, or nucleic acids; structure determination of proteins and nucleic acids by NMR spectroscopy (together with a list of NEOs), and sequence determinations of proteins or nucleic acids. The name of the database and the deposition number(s) assigned by this database must be stated in the part of the manuscript where the respective structure or sequence determination(s) is described so that referees can retrieve the information electronically. Detailed instructions for data submission can be found on the WWW homepages of the databases listed below.

Structure Data

For papers describing structural data, atomic coordinates and the associated experimental data should be deposited in the appropriate databank (see below).

Please note that the data in databanks must be released, at the latest, upon publication of the article. We trust in the cooperation of our authors to ensure that atomic coordinates and experimental data are released on time.

Organic and organometallic compounds: Crystallographic data should not be sent as Supporting Information, but should be deposited with the Cambridge Crystallographic Data Centre (CCDC) at http://www.ccdc.cam.ac.uk/services/structure%5Fdeposit.

Inorganic compounds: Fachinformationszentrum Karlsruhe (FIZ; http://www.fiz-karlsruhe.de).

Proteins and nucleic acids: Protein Data Bank (http://www.rcsb.org/pdb).

NMR spectroscopy data: BioMagResBank (http://www.bmrb.wisc.edu).

Sequence Data

Nucleic acids: GenBank (WWW: http://www.ncbi.nlm.nih.gov/) or EMBL Nucleotide Sequence Database (http://www.ebi.ac.uk/embl/index.html).

Proteins: Protein Information Resource (PIR; http://pir.georgetown.edu/) or SWISS-PROT (http://www.expasy.ch/sprot/sprot-top.html).

Manuscript Preparation for Submission

The following remarks aim to assist our authors in preparing their manuscript for submission to ChemMedChem. We strongly encourage our authors to adhere closely to these guidelines as it facilitates the evaluation of an article by the Editors and Referees. Manuscripts that are not suitable for consideration by the referees because of poor presentation or language issues will be returned to the authors for improvement prior to being sent out for peer evaluation.

Please note, authors of accepted articles looking for guidelines on preparing their production materials should consult the section below entitled "Guidelines for Accepted Manuscripts: Production Material Preparation" for specific requirements in addition to the general comments given below.

General Remarks

Spelling may be either UK or US standard English, but consistency should be maintained within a manuscript. Authors are asked to make their manuscripts suitable for a heterogeneous readership of biologists and chemists and to be considerate to our many readers for whom English is a foreign language—please use a simple, clear style and avoid jargon.

Language should be clear and easily understood. Authors may choose to seek the assistance of a colleague who is a native or highly proficient English speaker when preparing their manuscript for submission. For authors seeking professional assistance, Wiley English Language Editing Services offers a variety of options, from language polishing to figure preparation.

Abbreviations and acronyms should be used sparingly and consistently, following the system of abbreviations and symbols recommended by the International Union of Pure and Applied Chemistry (IUPAC) and the International Union of Biochemistry and Molecular Biology (IUBMB). Where they first appear in the text, they should—apart from the most common ones such as NMR, IR, or UV—be defined. Authors may prefer to explain large numbers of abbreviations and acronyms in a Glossary at the end of the text. Names of organisms should comply with genetic conventions, with genus and species names written in italics and spelled out in full on first appearance. Abbreviations for genes should be written in lower-case letters and italicized, those of the corresponding protein products should start with a capital letter and should not be italicized (e.g., hsp70 and Hsp70, respectively). Enzyme names should be accompanied by the respective Enzyme Commission (EC) numbers.

With the exception of Book Reviews, all other types of contribution should include a short text and color graphic for the Table of Contents. The text should be about five lines (approximately 300 characters excl. spaces) in length and formulated to arouse curiosity. Repetition or paraphrasing of the title and presentation of experimental details should be avoided. The color graphic should be kept small (ideally 5 × 5.5 cm) with minimum detail. We advise restricting the use of text in the graphic and avoiding large complicated schemes. Note, the use of color in the Table of Contents is free of charge and strongly encouraged.

When preparing the manuscript for initial submission and evaluation, we encourage the use of color where necessary to facilitate the scientific understanding and aid in the overall presentation of the manuscript. There is no charge for the use of color in ChemMedChem.

A maximum of five keywords should be given. In order to aid online searching, at least two of the keywords should be taken from the Keyword List. Please also see our Keyword List guidelines for details.

Detailed facts of importance to specialist readers can be submitted as Supporting Information and will be made accessible to reviewers and, if accepted, to readers via Wiley Online Library.

If a crystal structure analysis or sequence determination is not an essential part of a manuscript, only a footnote is required indicating where the detailed results can be found. This can be a separate publication or a freely accessible database. Further, more specific guidelines, are given elsewhere on the requirements for structural data.

If a manuscript is not accepted, all original material is returned to the correspondence author. However, if a manuscript is accepted for publication, graphical material and electronic storage media will only be returned upon request.

Manuscript Organization

A manuscript can be evaluated more efficiently if it is arranged as described below. Unless stated otherwise, the following instructions apply to all categories of contributions.

Title page (in order): title; authors names with academic titles, alphabetical footnotes ([a],[b],...) referring to addresses, and an asterisk to denote the corresponding author(s); footnotes containing affiliations of all authors including the full postal address, and e-mail address of the corresponding author(s); series title, number, and reference to the previous paper in the series, if applicable; dedication, if applicable.

Keywords: A maximum of five keywords to appear in the printed and online indexes should be given in alphabetical order. At least two keywords should be taken from the Keyword List to aid online searching. As mentioned above, please refer to our Keyword List guidelines for details.

In the text body, compound numbers should be used in ascending order. Compound numbers are always in bold; parentheses for the compound number should be used only if the name identifies the compound uniquely and unambiguously (for example: "...2-ethyl-4-cyanobenzoate (7) was used...", or: "...cyanobenzoate 7 was used..."). Please do not use computer programs to generate elaborate systematic names or use extremely long compound names. For the sake of clarity general descriptors such as compound 1, dendrimer 2, or alcohol 3 are recommended for the body text, reserving longer IUPAC nomenclature for the Experimental Section.

Experimental Section (applicable to Full Papers and Communications only) should be given in sufficient detail to enable others to repeat the work described. Please see the Experimental Section guidelines for specific information about formatting and requirements for compound purity and characterization data.

References: In the text numbers corresponding to the appropriate reference should be typed in square brackets as superscript (e.g., Blobel[3]) and after any punctuation, where applicable. References must be listed in order of their appearance in the text. Please do not format the references section with the Numbering function in the word-processing program. If an automatic reference collation system of the word-processing program (Footnotes, EndNote) is used, we ask that an author converts the references into normal, typed text before submission of the final manuscript, otherwise they may disappear when typeset. Journal titles should be abbreviated according to the Chemical Abstracts Service Source Index (CASSI). Unpublished results and lectures should only be cited for exceptional reasons. When discussing/mentioning a crystal structure taken from the Protein Data Bank (PDB), or any other databank, the appropriate ID number should be quoted, and whenever possible the primary citation as given in the databank should be included.

Please follow the examples below. Either the first page or the page range may be given, but the presence or absence of the last page should be consistent throughout any given manuscript.

Journals: [1] a) J. A. Pitcher, N. J. Freedman, R. J. Lefkowitz, Annu. Rev. Biochem. 1998, 67, 653–692; b) P. Sears, C.-H. Wong, Angew. Chem. Int. Ed. 1999, 38, 2300–2324; Angew. Chem. 1999, 111, 2446–2471.

[2] a) W. D. Wagner, Ann. N.Y. Acad. Sci. 1985, 454, 52–68, and references therein; b) J. C. Wang, Sci. Am. 1982, 247, 94–97.

Books (Without editor): [3] E. Wingender, Gene Regulation in Eukaryotes, VCH, Weinheim, 1993, p. 215.

Books (With editor): [4] T. D. Tullius in Comprehensive Supramolecular Chemistry, Vol. 5 (Eds.: J. L. Atwood, J. E. D. Davies, D. D. MacNicol, F. Vögtle, K. S. Suslick), Pergamon, Oxford, 1996, pp. 317–343.

Patents: Typically in the format of names, (company, city, country), Patent type, Patent number, year, [abstracting service if any]. e.g., [5] a) C. D. Jones, A. D. Palkowitz, (Eli Lilly & Co,m Indianapolis, USA), US Patent No. US 6,350,884 B1, 2002. b) H. Behre, M. Dockner, A. Klausener, (Bayer AG, Leverkusen, Germany), Int. PCT Pub. No. WO200107701 A1, 2001. c) C. Kuang, J. Wei, Z. Huang, (Tongji University, Shanghai, PR China), Chin. Pat. Appl. CN 102344395 A, 2012. d) C. R. A. Botta, (Bayer AG, Berlin, Germany), German Pat. DE-B 2235093, 1973 [Chem. Abstr. 1974, 80, 55356 c].

Student Theses: [6] A. Student, PhD thesis, University of Newcastle (UK), 1991;

Lectures: [7] "Synthesis in Biochemistry": R. Robinson, J. Chem. Soc. 1936, 1079.

Figures, Schemes, Tables and other elements: When preparing a manuscript for evaluation by the Editor and Reviewers, graphical elements should appear, with their legend or footnotes if appropriate, within the main text of the article where first mentioned. Each figure and scheme should have a legend. These should be listed immediately below the graphic, within the main body of the manuscript. Tables must have a brief title and should only be subdivided by three horizontal lines (head rule, neck rule, foot rule). Footnotes in tables are denoted [a], [b], [c], etc. and should contain all additional details.

For tables reporting biological data, details of the number of independent experiments, the number of replicates, and errors (SD or SEM) should be given either in the table body or as a general statement in the footnote. Furthermore, given growing concerns over the reproducibility of biological data reported in the literature, every effort should be made to evaluate reference/control agents in parallel with the newly reported compounds; any comparisons to literature data should be given due consideration and treated with care.

Illustrations (structural formulae, figures, schemes) should, if possible, be designed for reduction to a one-column format (8.5 cm wide). The maximum width is the two-column format (17.5 cm wide). Further guidelines on the graphical representation standards for chemical structure diagrams have been published by IUPAC. To allow the Editor and Referees to easily interpret the graphics, care should be taken to ensure all text is legible and all images are clear and of high quality. We recommend: a sans serif font (e.g., Helvetica) for script; size of lettering, 3–3.5 mm; total maximum width, 14 cm (or 28 cm for two-column width). Please use only one size of writing in any one diagram; if two sizes are absolutely necessary, please keep the font sizes to within 2 pt. Please also use only one style of font; the journal style requires a sans serif font (e.g., Helvetica). Writing above the arrow in a scheme may be a little smaller.

Computer-aided image enhancement is often unavoidable. However, such manipulation cannot result in data that are less relevant or unrepresentative being shown and/or genuine and significant signals being lost. A clear relationship must remain between the original data and the electronic images that result from those data. If an image has been electronically modified, the form of the modification must be given in the Figure caption. If computer-aided processing or modification of an image is a fundamental part of the experimental work, then the form that this processing takes must be clearly described in the Experimental Section. A common example of this is the presentation of Western blots; authors should state clearly in the figure legend how a gel was modified, and if appropriate, provide the full gel(s) as Supporting Information for consideration by the Editor and Reviewers.

Please italicize symbols of physical quantities in both graphics and the text, but not their units (e.g., T for temperature, in contrast to T for the unit Tesla; J, but Hz; a, but nm). Stereochemical information (cis, Z, R, etc.), locants (N-methyl, α-amino), and symmetry designations (C2v) should also be italicized. Chemical formulae should be numbered with boldface Arabic numerals (e.g., 1). Labels of axes should be separated from their units by a slash (e.g., T / K). Abbreviations such as Me, Et, nBu, iPr, sBu, tBu, and Ph (not φ) may be used. General substituents should be indicated by R1, R2 (not R2, which means 2R), or R, R′. The spatial arrangement of the substituents should be indicated by hatched lines or a wedge. A minus sign must be as long as the crossbar of a plus sign.

Mathematical formulae should not be incorporated into the text as graphic files. Please type mathematical formulae as normal text in the body of the text as far as is possible.

Guidelines for Accepted Manuscripts: Production Material Preparation

The guidelines below are applicable only to authors of an accepted manuscript who are preparing the final revised version for publication. Authors preparing to submit an article to ChemMedChem as a new submission should consult the section above entitled "Manuscript Preparation".

The final revised version of the manuscript along with the rest of the production materials (graphics, etc.; see below for instructions) should be submitted after the paper has been accepted for publication via our online system or by e-mail. Please note however, that the preferred method of submission of the final versions of manuscript is through Editorial Manager.

Please consult the checklist provided as an attachment upon acceptance to ensure that the manuscript complies with the journal requirements. If appropriate, a response letter should be provided along with the production materials outlining the changes made to the manuscript in response to the comments of the referees, or if an author disagrees with their suggestion(s), outlining the arguments against their remarks.

Once the final modifications to the manuscript have been made, to facilitate the typesetting process and preparation of the galley proofs, authors should follow these simple steps:

1. Ideally, we ask authors to remove the text from the submission template and instead present the text as a standard document (single-column, no page header or section breaks). The text should be typed as "continuous text", that is, with carriage returns only at the end of a paragraph, title, heading, and similar features. The text should be provided either as a Word document (.doc) or in rich text format (.rtf).

2. Authors are not required to remove the graphics from the text, as this can be done by our technical editors; however, all graphics (Figures, Schemes, Formulae etc.) should also be provided as separate files (see below). Our typesetter will insert the graphics where they are mentioned in the text, therefore, please ensure all Figures and Schemes are mentioned in sequence.

3. Tables are edited in the text and therefore should not be sent as graphical elements but rather should be generated in Word and provided at the end of the manuscript text file. The tables should be set up with tabulators, not with the space bar or line breaks.

4. For Tables containing structures, the structures should be left in the Word document for reference but should also be provided as a graphic file. When supplying these structures in the original file format (i.e., ChemDraw or ISISDraw), all structures may be contained within a single file if easier.

5. Each Scheme, Figure, or Formula, as well as the graphic for the Table of Contents, should be provided in their original file format (e.g., PowerPoint, ChemDraw, etc.) or as high-resolution (300 dpi) image files (.tiff, .jpeg, etc.). Graphics embedded in word documents are not useable due to the loss of resolution when extracted for the purpose of typesetting. Graphics should be revised to adhere to the journal house style outlined in the Editorial Checklist provided upon acceptance. To ensure trouble-free reproduction of the manuscript, please adhere closely to the guidelines given here and in the Checklist.

6. Any Supporting Information should be provided as a separate document in PDF format; Author/Title information for Supporting Information files should not be included, as a cover sheet containing this information is generated automatically during the production process.

7. Preferred word-processing programs are: Microsoft Word, WordPerfect, and Macintosh files, preferably stored in Word format. Documents prepared with other word-processing programs should be converted if possible. ChemTex files, for example, cannot be used.

8. Please avoid end-of-line word divisions; if necessary, these are included automatically by our typesetter and can be reviewed prior to publication in the galley proofs. Please use only one font type, except for Greek letters, which should be typed in the Symbol font.

9. Formula numbers, and in the reference section, the year of publication (but not headings such as "Table 1" or "Figure 1") should be in boldface or doubly underlined. The symbols for 1 (one) and l ("ell"), 0 (zero) and O ("oh") should be distinct.

10. The manuscript should not be fragmented into separate files. Please save only the graphics and the Supporting Information as separate files.

Structure and Sequence Data

If not already done prior to the original manuscript submission, authors of accepted papers must deposit structural and sequence information in the appropriate databases, as indicated above in the Experimental Section guidelines. Detailed instructions for data submission can be found on the WWW homepages of the databases listed in that section as well.

Please remember that the data in databanks must be released, at the latest, upon publication of the manuscript. We trust in the cooperation of our authors in ensuring that data is released in a timely fashion.

Supporting Information

Any supporting information the authors wish to make available to readers should be prepared and uploaded together with the revised manuscript. Documents containing text and supplementary graphics should be submitted as a single PDF file. The Supporting Information should be exactly as the authors wish it to appear to readers; as such, authors should check the PDF carefully to ensure the graphics are clearly and appropriately presented. Please do NOT include a Title/Authors/Affiliations page, as a cover page for the Supporting Information including these details is generated automatically during production.

Supporting Information should not include crystallographic or sequence data that are available from the relevant databases. Also, please ensure that all Greek characters are in the ′Symbol′ font.

Animated multimedia applications, Excel sheets containing database entries, or other supplementary materials are also welcome as Supporting Information. Authors reporting novel compounds together with biological data may choose to facilitate reviewer and reader export of the structures by providing simplified molecular input line entry system (SMILES) or international chemical identifier (InChI) strings in an appropriate file format (e.g., .csv).

Editorial Policy on Computational Work

In general terms, manuscripts reporting primarily computational medicinal chemistry results must fall into one of the following categories (see below for more in-depth details): 1) manuscripts describing a novel technique with explicit application to medicinal chemistry and related fields; 2) manuscripts reporting experimentally validated results that provide insight into a topical problem within the field of medicinal chemistry; 3) manuscripts detailing the application of statistics or data mining, providing provocative and interesting results of importance to the field.

Those manuscripts that fail to meet these criteria will not be considered for publication in the journal.

Molecular Modeling and Binding Modes

Molecular modeling has become an increasingly popular tool in the study of drug–target binding modes. As such, there is an ever-present risk of relying too heavily on computational results in drawing conclusions. A careful balance must be maintained between computational and experimental work; it is important that the results of modeling studies be used to establish hypotheses that are followed up by experimental work, or to help confirm and interpret previously acquired experimental data.

Therefore, we ask authors—as well as referees of manuscripts in peer review—to carefully assess the need for molecular modeling work: Is it essential for the research in understanding exactly how and where a compound might bind its target? Is a computational model or study truly needed? What are the key messages resulting from the calculations? If there are none, authors should consider whether the manuscript might be more appropriate for a different journal.

If the modeling aspects are essential, they should be experimentally validated. For example, a proposed binding mode can be experimentally checked, but a molecular dynamics study that proposes a mechanism for ligand entry into a binding pocket cannot, and thus a manuscript on such a topic remains a purely theoretical exercise, and should be submitted to a more specialized journal.

Wherever possible, experimental data should accompany the modeling work. If no experimental evidence is provided to corroborate the theoretical study, then the following should be clearly stated: 1) what is prediction and what is solid experimental evidence, and 2) what experiments could be conducted to assess the hypothesis. Furthermore, the outcome of "automated" molecular design tools such as docking programs should always be critically and visually examined.

QSAR/QSPR Studies

Topics in quantitative structure–activity relationships appear frequently in ChemMedChem, and in light of the recent broadening of this field, it is important that prospective authors are aware of our editorial policy toward QSAR/QSPR manuscripts. Manuscripts must meet the following strict criteria to be considered for publication in the journal:

1. If a new method or theory is reported, it should be compared with at least one other commonly used method, and validated against three datasets, at least two of which should be published (i.e., publicly available). All QSAR/QSPR models must be validated using external data. Data used in the development of the model are NOT appropriate for use in model validation.

2. All QSAR/QSPR models generated through standard or well-known computational techniques must be tested with regard to their predictive power using experimental results. Biological data may be taken from the literature; however, they should be taken from a single source to ensure accuracy and to avoid discrepancies arising through variations in experimental conditions, etc.

3. All data used in performing the QSAR study should be reported in the manuscript itself, provided in the Supporting Information, or accessible elsewhere. In short, data should be readily available without restriction.

Furthermore, the novelty of the QSAR/QSPR study should be clearly stated, preferably in the article′s Abstract and Introduction.

Chemoinformatics and Data Mining in Drug Discovery

Manuscripts that fall within these topics are generally written by invitation. ChemMedChem only publishes work of this nature if it generates an insight that is practically useful, is novel or confirms a known finding on a much broader data basis than before, is not generic (e.g., "we need lower logD values") but applicable, and provides a new overview that has not existed before.

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