ChemMedChem

Cover image for Vol. 9 Issue 4

April 2014

Volume 9, Issue 4

Pages 673–857

  1. Cover Pictures

    1. Top of page
    2. Cover Pictures
    3. Editorial
    4. Graphical Abstract
    5. News
    6. Communications
    7. Full Papers
    8. Book Reviews
    1. You have free access to this content
      Cover Picture: Time-Dependent Diaryl Ether Inhibitors of InhA: Structure–Activity Relationship Studies of Enzyme Inhibition, Antibacterial Activity, and in vivo Efficacy (ChemMedChem 4/2014) (page 673)

      Dr. Pan Pan, Dr. Susan E. Knudson, Dr. Gopal R. Bommineni, Dr. Huei-Jiun Li, Cheng-Tsung Lai, Dr. Nina Liu, Prof. Miguel Garcia-Diaz, Prof. Carlos Simmerling, Dr. Sachindra S. Patil, Prof. Richard A. Slayden and Prof. Peter J. Tonge

      Article first published online: 3 APR 2014 | DOI: 10.1002/cmdc.201490010

      Thumbnail image of graphical abstract

      The front cover picture illustrates the role of drug–target residence time in drug candidate selection. Although traditional lead optimization relies primarily on structure–activity relationships from thermodynamic parameters, drug–target residence time will also impact drug efficacy since drug concentration is not constant in vivo. Here, a structure–kinetics relationship for the inhibition of InhA, the Mycobacterium tuberculosis enoyl-ACP reductase, is reported. Two time-dependent inhibitors of InhA caused a significant decrease in bacterial load in a mouse model of tuberculosis infection, in contrast to a rapid reversible inhibitor that showed no effect, further validating residence time as a metric for predicting drug efficacy. For further details, see the Full Paper by Peter J. Tonge, Richard A. Slayden et al. on p. 776 ff.

    2. You have free access to this content
      Inside Cover: Binding Mode and Structure–Activity Relationships around Direct Inhibitors of the Nrf2–Keap1 Complex (ChemMedChem 4/2014) (page 674)

      Dr. Eric Jnoff, Dr. Claudia Albrecht, Dr. John J. Barker, Dr. Oliver Barker, Dr. Edward Beaumont, Dr. Steven Bromidge, Dr. Frederick Brookfield, Dr. Mark Brooks, Dr. Christian Bubert, Dr. Tom Ceska, Vincent Corden, Dr. Graham Dawson, Dr. Stephanie Duclos, Dr. Tara Fryatt, Dr. Christophe Genicot, Dr. Emilie Jigorel, Dr. Jason Kwong, Rosemary Maghames, Innocent Mushi, Dr. Richard Pike, Dr. Zara A. Sands, Dr. Myron A. Smith, Dr. Christopher C. Stimson and Dr. Jean-Philippe Courade

      Article first published online: 3 APR 2014 | DOI: 10.1002/cmdc.201490011

      Thumbnail image of graphical abstract

      The inside cover picture shows the activation of the Nrf2 pathway induced by a small molecule (NCE) disrupting the Keap1–Nrf2 interaction in a noncovalent manner. Crystallographic elucidation of its binding mode helped to focus and drive the drug design process more effectively and efficiently. For further details, see the Communication by Eric Jnoff et al. on p. 699 ff. Artwork by Réjane Leporcq.

    3. You have free access to this content
      Back Cover: The DiPPro Approach: Synthesis, Hydrolysis, and Antiviral Activity of Lipophilic d4T Diphosphate Prodrugs (ChemMedChem 4/2014) (page 860)

      Dr. Tilmann Schulz, Prof. Dr. Jan Balzarini and Prof. Dr. Chris Meier

      Article first published online: 3 APR 2014 | DOI: 10.1002/cmdc.201490014

      Thumbnail image of graphical abstract

      The back cover picture shows how a masked precursor of a nucleoside diphosphate (DiPPro) is taken up by a virus-infected cell due to its high lipophilicity. Intracellularly, the bioreversible masking units are enzymatically cleaved to the delivery of the diphosphate (B=base, S=sugar, P=phosphate). After conversion into the triphosphate, the nucleotide is able to inhibit viral replication by blocking reverse transcriptase (RT). For further details, see the Full Paper by Chris Meier et al. on p. 762 ff.

  2. Editorial

    1. Top of page
    2. Cover Pictures
    3. Editorial
    4. Graphical Abstract
    5. News
    6. Communications
    7. Full Papers
    8. Book Reviews
    1. You have free access to this content
      100 Issues of ChemMedChem (pages 675–676)

      Dr. Scott D. Williams and Dr. Natalia Ortúzar

      Article first published online: 3 APR 2014 | DOI: 10.1002/cmdc.201400085

  3. Graphical Abstract

    1. Top of page
    2. Cover Pictures
    3. Editorial
    4. Graphical Abstract
    5. News
    6. Communications
    7. Full Papers
    8. Book Reviews
    1. Graphical Abstract: ChemMedChem 4/2014 (pages 679–684)

      Article first published online: 3 APR 2014 | DOI: 10.1002/cmdc.201490012

  4. News

    1. Top of page
    2. Cover Pictures
    3. Editorial
    4. Graphical Abstract
    5. News
    6. Communications
    7. Full Papers
    8. Book Reviews
    1. Spotlights on our sister journals: ChemMedChem 4/2014 (pages 688–691)

      Article first published online: 3 APR 2014 | DOI: 10.1002/cmdc.201490013

  5. Communications

    1. Top of page
    2. Cover Pictures
    3. Editorial
    4. Graphical Abstract
    5. News
    6. Communications
    7. Full Papers
    8. Book Reviews
    1. Discovery of Heterocyclic Nonacetamide Synaptic Vesicle Protein 2A (SV2A) Ligands with Single-Digit Nanomolar Potency: Opening Avenues towards the First SV2A Positron Emission Tomography (PET) Ligands (pages 693–698)

      Joël Mercier, Laurence Archen, Véronique Bollu, Stéphane Carré, Yves Evrard, Dr. Eric Jnoff, Dr. Benoît Kenda, Bénédicte Lallemand, Dr. Philippe Michel, Dr. Florian Montel, Dr. Florence Moureau, Nathalie Price, Dr. Yannick Quesnel, Dr. Xavier Sauvage, Dr. Anne Valade and Dr. Laurent Provins

      Article first published online: 20 JAN 2014 | DOI: 10.1002/cmdc.201300482

      Thumbnail image of graphical abstract

      Avenues towards imaging…of synaptic vesicle protein 2A (SV2A) in vivo were opened after the rationale discovery of the first non-acetamide SV2A ligands, displaying single-digit nanomolar potency, using a 3D pharmacophore model. An extensive profiling of the most potent compounds allowed the identification of three leads (see figure) as potential candidates for positron emission tomography (PET) ligand development.

    2. Binding Mode and Structure–Activity Relationships around Direct Inhibitors of the Nrf2–Keap1 Complex (pages 699–705)

      Dr. Eric Jnoff, Dr. Claudia Albrecht, Dr. John J. Barker, Dr. Oliver Barker, Dr. Edward Beaumont, Dr. Steven Bromidge, Dr. Frederick Brookfield, Dr. Mark Brooks, Dr. Christian Bubert, Dr. Tom Ceska, Vincent Corden, Dr. Graham Dawson, Dr. Stephanie Duclos, Dr. Tara Fryatt, Dr. Christophe Genicot, Dr. Emilie Jigorel, Dr. Jason Kwong, Rosemary Maghames, Innocent Mushi, Dr. Richard Pike, Dr. Zara A. Sands, Dr. Myron A. Smith, Dr. Christopher C. Stimson and Dr. Jean-Philippe Courade

      Article first published online: 6 FEB 2014 | DOI: 10.1002/cmdc.201300525

      Thumbnail image of graphical abstract

      To dock or not to dock? Nrf2 has become an attractive neuroprotective target, as the Nrf2 pathway provides a natural cell defense mechanism against damage. Targeting its physiological negative modulator Keap1 with small molecules may allow Nrf2 to play its protective role. To this end, an X-ray structure of Keap1 co-crystallised with compound (S,R,S)-1 a was obtained, elucidating its binding mode, which in turn helped to drive the drug design process.

    3. Structural Basis for the Inhibition of AKR1B10 by Caffeic Acid Phenethyl Ester (CAPE) (pages 706–709)

      Liping Zhang, Hong Zhang, Dr. Xuehua Zheng, Yining Zhao, Dr. Shangke Chen, Yunyun Chen, Renwei Zhang, Prof. Qing Li and Prof. Xiaopeng Hu

      Article first published online: 16 JAN 2014 | DOI: 10.1002/cmdc.201300455

      Thumbnail image of graphical abstract

      A word to the wise: The crystal structure of caffeic acid phenethyl ester (CAPE), the major bioactive component of honeybee propolis, in complex with aldo-keto reductase family member 1B10 (AKR1B10) is reported. Preliminary results strongly suggest that the use of this crystal structure for future in silico campaigns could drastically improve the success rate in identifying inhibitors with selectivity for AKR1B10 over other highly related off-targets.

    4. A β-Lactone-Based Antivirulence Drug Ameliorates Staphylococcus aureus Skin Infections in Mice (pages 710–713)

      Dr. Franziska Weinandy, Dr. Katrin Lorenz-Baath, Dr. Vadim S. Korotkov, Dr. Thomas Böttcher, Dr. Shneh Sethi, Prof. Dr. Trinad Chakraborty and Prof. Dr. Stephan A. Sieber

      Article first published online: 20 FEB 2014 | DOI: 10.1002/cmdc.201300325

      Thumbnail image of graphical abstract

      Gets under the skin: Subcutaneous administration of S. aureus into mice resulted in the rapid development of severe skin abscesses. These abscesses were significantly decreased in size by a single-dose treatment with β-lactone U1, showing that targeting bacterial virulence is a promising strategy to combat bacterial infections.

    5. Mitochondrial Fragmentation Is an Important Cellular Event Induced by Ruthenium(II) Polypyridyl Complexes in Osteosarcoma Cells (pages 714–718)

      Yanxin Du, Xiaoyan Fu, Hong Li, Bolai Chen, Yuhai Guo, Guoyi Su, Hu Zhang, Feipeng Ning, Yongpeng Lin, Wenjie Mei and Tianfeng Chen

      Article first published online: 8 JAN 2014 | DOI: 10.1002/cmdc.201300379

      Thumbnail image of graphical abstract

      Powerhouse destruction! A series of ruthenium(II) polypyridyl complexes were synthesized and identified as potent apoptosis inducers in osteosarcoma cells through induction of mitochondrial fragmentation. These finding suggest a potential application of these ruthenium(II) complexes in cancer chemotherapy.

    6. Structure-Based Design of Novel Human Toll-like Receptor 8 Agonists (pages 719–723)

      Dr. Hari Prasad Kokatla, Dr. Diptesh Sil, Dr. Hiromi Tanji, Dr. Umeharu Ohto, Subbalakshmi S. Malladi, Lauren M. Fox, Prof. Toshiyoki Shimizu and Prof. Sunil A. David

      Article first published online: 28 JAN 2014 | DOI: 10.1002/cmdc.201300573

      Thumbnail image of graphical abstract

      Designer adjuvants: Focused ligand design studies based on the co-crystal structure of human toll-like receptor-8 (TLR8) ectodomain led to the identification of 3-pentyl-quinoline-2-amine as a novel, structurally simple, and highly potent human TLR8-specific agonist, a promising new class of vaccine adjuvants.

    7. In Silico Solid State Perturbation for Solubility Improvement (pages 724–726)

      Dr. Lars-Erik Briggner, Prof. Lars Kloo, Dr. Jan Rosdahl and Prof. Per H. Svensson

      Article first published online: 6 FEB 2014 | DOI: 10.1002/cmdc.201300454

      Thumbnail image of graphical abstract

      A perturbed state: An in silico approach for intrinsic solubility improvement by perturbing key interactions in the crystal structure is reported. The predictions pinpoint key solid state interactions of the molecule and suggest appropriate perturbations. The final result is a molecule, similar to the original one, but with significantly higher solubility. The described approach is especially well suited to solving the solubility issues of so called “brick dust” compounds.

    8. Bis-arylidene Oxindoles as Anti-Breast-Cancer Agents Acting via the Estrogen Receptor (pages 727–732)

      Abhishek Pal, Anirban Ganguly, Avijit Ghosh, Md Yousuf, Bhowmira Rathore, Dr. Rajkumar Banerjee and Dr. Susanta Adhikari

      Article first published online: 31 JAN 2014 | DOI: 10.1002/cmdc.201400003

      Thumbnail image of graphical abstract

      A trip to the ER: We developed oxindole derivatives that exhibit anticancer activity at low-nanomolar IC50 concentrations (30–70 nM) against ER-positive breast cancer cells. Results of siRNA studies reveal that the anticancer effects of these molecules are mediated by the estrogen receptor (ER). These compounds also inhibit ER-mediated transactivation and exhibit selective ER modulating and down-regulating properties.

    9. Targeted Fluorination of a Nonsteroidal Anti-inflammatory Drug to Prolong Metabolic Half-Life (pages 733–736)

      Maxwell J. Shaughnessy, Antal Harsanyi, Jingji Li, Tara Bright, Dr. Cormac D. Murphy and Prof. Graham Sandford

      Article first published online: 28 JAN 2014 | DOI: 10.1002/cmdc.201300490

      Thumbnail image of graphical abstract

      A metabolic stopper: By applying a chemical–microbiological approach to the design of drugs with enhanced metabolic stability, a series of fluorinated derivatives of the nonsteroidal anti-inflammatory drug (NSAID) flurbiprofen was synthesised that were more resistant to cytochrome P450-catalysed transformation than the original drug.

    10. Bis-(1,2,3,4-tetrahydroisoquinolinium): A Chiral Scaffold for Developing High-Affinity Ligands for SK Channels (pages 737–740)

      Prof. Jean-François Liégeois, Prof. Johan Wouters, Prof. Vincent Seutin and Dr. Sébastien Dilly

      Article first published online: 5 MAR 2014 | DOI: 10.1002/cmdc.201400028

      Thumbnail image of graphical abstract

      In the THIQ of things: A novel series of nonaromatic bis-(1,2,3,4-tetrahydroisoquinolinium) stereoisomers were synthesized and tested for their affinity for small-conductance calcium-activated potassium channel (SK/KCa2) subtypes in comparison with the corresponding bis-(1,2,3,4-tetrahydroisoquinoline) analogues. The results show that these compounds represent a new scaffold for the development of high-affinity ligands for SK channel subtypes.

  6. Full Papers

    1. Top of page
    2. Cover Pictures
    3. Editorial
    4. Graphical Abstract
    5. News
    6. Communications
    7. Full Papers
    8. Book Reviews
    1. GluN2B-Selective N-Methyl-d-aspartate (NMDA) Receptor Antagonists Derived from 3-Benzazepines: Synthesis and Pharmacological Evaluation of Benzo[7]annulen-7-amines (pages 741–751)

      Dr. Andre Benner, Alessandro Bonifazi, Chikako Shirataki, Louisa Temme, Dr. Dirk Schepmann, Prof. Wilma Quaglia, Prof. Osami Shoji, Prof. Yoshihito Watanabe, Dr. Constantin Daniliuc and Prof. Dr. Bernhard Wünsch

      Article first published online: 23 FEB 2014 | DOI: 10.1002/cmdc.201300547

      Thumbnail image of graphical abstract

      Benzylic OH not essential! A 10- to 11-step synthesis was performed to obtain cis- and trans-configured tetrahydrobenzo[7]annulenes with a 5-hydroxy moiety and various phenylalkylamino moieties at the 7-position. High affinity toward GluN2B-containing N-methyl-D-aspartate (NMDA) receptors was observed for cis-configured 3-phenylpropylamines. Unexpectedly, removal of the benzylic hydroxy group led to the most potent GluN2B antagonists of this series.

    2. Binding Kinetics of ZM241385 Derivatives at the Human Adenosine A2A Receptor (pages 752–761)

      Dong Guo, Lizi Xia, Jacobus P. D. van Veldhoven, Marc Hazeu, Tamara Mocking, Dr. Johannes Brussee, Prof. Adriaan P. IJzerman and Dr. Laura H. Heitman

      Article first published online: 3 MAR 2014 | DOI: 10.1002/cmdc.201300474

      Thumbnail image of graphical abstract

      Above and beyond: Insight into the binding kinetics of ZM241385 derivatives at the human adenosine A2A receptor has provided additional information beyond a traditional structure–activity relationship (SAR) analysis. The strategy, combining a structure–kinetics relationship investigation and SAR, can serve as an important tool for more directed medicinal chemistry efforts in the future.

    3. The DiPPro Approach: Synthesis, Hydrolysis, and Antiviral Activity of Lipophilic d4T Diphosphate Prodrugs (pages 762–775)

      Dr. Tilmann Schulz, Prof. Dr. Jan Balzarini and Prof. Dr. Chris Meier

      Article first published online: 11 MAR 2014 | DOI: 10.1002/cmdc.201300500

      Thumbnail image of graphical abstract

      NDPs delivered! A structure–activity relationship of bioreversibly protected DiPPro–d4TDP was performed. The stability of the compounds was studied in various media such as cell extracts. Stability increased with increasing lipophilicity of the acyl chain. D4TDP was released as main product. Compounds with long acyl residues showed good anti-HIV activities in TK-deficient cells, proving intracellular uptake of the compounds.

    4. Time-Dependent Diaryl Ether Inhibitors of InhA: Structure–Activity Relationship Studies of Enzyme Inhibition, Antibacterial Activity, and in vivo Efficacy (pages 776–791)

      Dr. Pan Pan, Dr. Susan E. Knudson, Dr. Gopal R. Bommineni, Dr. Huei-Jiun Li, Cheng-Tsung Lai, Dr. Nina Liu, Prof. Miguel Garcia-Diaz, Prof. Carlos Simmerling, Dr. Sachindra S. Patil, Prof. Richard A. Slayden and Prof. Peter J. Tonge

      Article first published online: 11 MAR 2014 | DOI: 10.1002/cmdc.201300429

      Thumbnail image of graphical abstract

      No turning back: A series of diaryl ethers was designed with modifications to the B-ring. Structure–activity relationship studies shed light on the mechanism of time-dependent inhibition of InhA: during inhibitor binding, a slow step that leads to the final enzyme–inhibitor complex (EI*) is thought to correlate with closure and ordering of the substrate binding loop. In a mouse model of tuberculosis infection, two of the time-dependent InhA inhibitors synthesized decreased the antibacterial load by 0.5–0.7 log units.

    5. Developing an Irreversible Inhibitor of Human DDAH-1, an Enzyme Upregulated in Melanoma (pages 792–797)

      Dr. Yun Wang, Dr. Shougang Hu, Abdul M. Gabisi Jr., Joyce A. V. Er, Arthur Pope, Gayle Burstein, Christopher L. Schardon, Dr. Arturo J. Cardounel, Dr. Suhendan Ekmekcioglu and Dr. Walter Fast

      Article first published online: 26 FEB 2014 | DOI: 10.1002/cmdc.201300557

      Thumbnail image of graphical abstract

      Inactivator of DDAH-1: The enzyme DDAH-1 regulates nitric oxide production by catabolizing endogenous inhibitors of nitric oxide synthases. Here, we develop a potent irreversible inactivator of DDAH-1 and demonstrate its use with purified enzymes, with DDAH-1 artificially expressed in cultured cells, and with DDAH-1 that we found to be overexpressed in ∼80 % of cultured melanoma cell lines tested.

    6. You have full text access to this OnlineOpen article
      Synthesis, Anti-tubulin and Antiproliferative SAR of Steroidomimetic Dihydroisoquinolinones (pages 798–812)

      Dr. Mathew P. Leese, Dr. Fabrice L. Jourdan, Dr. Meriel R. Major, Dr. Wolfgang Dohle, Dr. Mark P. Thomas, Dr. Ernest Hamel, Dr. Eric Ferrandis, Dr. Mary F. Mahon, Dr. Simon P. Newman, Dr. Atul Purohit and Prof. Dr. Barry V. L. Potter

      Article first published online: 5 MAR 2014 | DOI: 10.1002/cmdc.201400017

      Thumbnail image of graphical abstract

      Steroid-oids: Steroidomimetic dihydroisoquinolinones (DHIQs) were evaluated against two cancer cell lines. Carbonyl-linked DHIQs exhibit significant in vitro antiproliferative activity, show excellent activity against tubulin polymerisation, and compete at the colchicine binding site of tubulin. Crystal structure analysis and molecular modelling both suggest a preferred “steroid-like” conformation as a result of intramolecular electrostatic repulsion for this compound class.

    7. Prospective Virtual Screening in a Sparse Data Scenario: Design of Small-Molecule TLR2 Antagonists (pages 813–822)

      Manuela S. Murgueitio, Prof. Dr. Philipp Henneke, Prof. Dr. Hartmut Glossmann, Dr. Sandra Santos-Sierra and Prof. Dr. Gerhard Wolber

      Article first published online: 27 JAN 2014 | DOI: 10.1002/cmdc.201300445

      Thumbnail image of graphical abstract

      Modulating innate immunity: A quorum of eight Toll-like receptor 2 (TLR2) antagonists were identified through a virtual screening (VS) approach that combined structure- and ligand-based VS. The compounds are active in the micromolar range and are therefore suitable lead structures for the design of novel TLR2 antagonists.

    8. You have full text access to this OnlineOpen article
      Crystal Structure of Human Soluble Adenylate Cyclase Reveals a Distinct, Highly Flexible Allosteric Bicarbonate Binding Pocket (pages 823–832)

      Susanne M. Saalau-Bethell, Dr. Valerio Berdini, Dr. Anne Cleasby, Dr. Miles Congreve, Dr. Joseph E. Coyle, Victoria Lock, Dr. Christopher W. Murray, Dr. M. Alistair O'Brien, Sharna J. Rich, Tracey Sambrook, Dr. Mladen Vinkovic, Dr. Jeff R. Yon and Dr. Harren Jhoti

      Article first published online: 24 FEB 2014 | DOI: 10.1002/cmdc.201300480

      Thumbnail image of graphical abstract

      Crystal clear design: The crystal structure of bicarbonate-bound human soluble adenylate cyclase shows how this protein discriminates between its activator and other anions. Low-affinity fragments binding at this and the nucleotide binding site induce significant conformational changes and highlight the challenges in successfully discovering new therapeutic agents.

    9. Methyl, Ethyl, Propyl, Butyl: Futile But Not for Water, as the Correlation of Structure and Thermodynamic Signature Shows in a Congeneric Series of Thermolysin Inhibitors (pages 833–846)

      Stefan G. Krimmer, Michael Betz, Prof. Dr. Andreas Heine and Prof. Dr. Gerhard Klebe

      Article first published online: 13 MAR 2014 | DOI: 10.1002/cmdc.201400013

      Thumbnail image of graphical abstract

      Water matters! Water is ubiquitously present in any biological system and has to be regarded as an additional binding partner in the protein–ligand binding process. A new solvent-exposed surface is generated and water molecules from the first solvation layer arrange around it. In conclusion, the quality of a water network assembled around a protein–ligand complex influences the enthalpy/entropy signature and can even modulate affinity.

    10. Effects of the Tumor-Vasculature-Disrupting Agent Verubulin and Two Heteroaryl Analogues on Cancer Cells, Endothelial Cells, and Blood Vessels (pages 847–854)

      Katharina Mahal, Dr. Marcus Resch, Prof. Dr. Ralf Ficner, Prof. Dr. Rainer Schobert, Dr. Bernhard Biersack and Dr. Thomas Mueller

      Article first published online: 23 FEB 2014 | DOI: 10.1002/cmdc.201300531

      Thumbnail image of graphical abstract

      Variations on a promising theme: Tumor blood vessels are a good therapeutic target because they are fundamentally different from normal vasculature. This study shows that vascular-disrupting agents derived from verubulin have enhanced selectivity for cancer cells and lower general in vivo toxicity, yet they retain the strong antivascular activity of the lead compound.

  7. Book Reviews

    1. Top of page
    2. Cover Pictures
    3. Editorial
    4. Graphical Abstract
    5. News
    6. Communications
    7. Full Papers
    8. Book Reviews
    1. Pain Therapeutics: Current and Future Treatment Paradigms. Edited by Charlotte Allerton (page 855)

      Prof. Kevin Tidgewell

      Article first published online: 4 FEB 2014 | DOI: 10.1002/cmdc.201400039

      Thumbnail image of graphical abstract

      RSC, Cambridge 2013. 412 pp., hardcover, £159.99.—ISBN 978-1-84973-645-9

    2. Introduction to Biological and Small Molecule Drug Research and Development: Theory and Case Studies. Edited by C. Robin Ganellin, Roy Jefferis and Stanley M. Roberts (page 856)

      Prof. Markus Kalesse

      Article first published online: 8 JAN 2014 | DOI: 10.1002/cmdc.201300492

      Thumbnail image of graphical abstract

      Elsevier, Amsterdam 2013. 472 pp., hardcover, €73.95.—ISBN 978-0-12-397176-0

    3. In Silico Models for Drug Discovery. Edited by Sandhya Kortagere (pages 856–857)

      Prof. Dr. Paul M. Selzer

      Article first published online: 24 FEB 2014 | DOI: 10.1002/cmdc.201400063

      Thumbnail image of graphical abstract

      Springer, Heidelberg 2013. XII+265 pp., hardcover, €101.64.—ISBN 978-1-62703-341-1

SEARCH

SEARCH BY CITATION