ChemMedChem

Cover image for Vol. 12 Issue 15

Editorial Board Chairs: Karl-Heinz Altmann, Antonello Mai, Rainer Metternich. Editor: David Peralta

Impact Factor: 3.225

ISI Journal Citation Reports © Ranking: 2016: 17/60 (Chemistry Medicinal); 73/256 (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

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November 23, 2016

13th WCMBC in Steamboat Springs: January 2017

13th WCMBC in Steamboat Springs: January 2017ChemMedChem will be sponsoring the next Winter Conference on Medicinal & Bioorganic Chemistry this coming January 22nd–26th in Steamboat Springs, Colorado. The organizers have lined up another impressive list of presenters for this year's event. And as if excellent cutting-edge science weren't enough, this meeting comes with a healthy dose of play time too: unforgettable skiing in the bright sun and deep snow of northern Colorado. Make sure to register soon!

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Recently Published Articles

  1. Regulated Drug Release Abilities of Calcium Carbonate–Gelatin Hybrid Nanocarriers Fabricated via a Self-Organizational Process

    Dr. Kazuki Murai, Kazuya Kurumisawa, Prof. Yoshihiro Nomura and Prof. Mutsuyoshi Matsumoto

    Version of Record online: 23 AUG 2017 | DOI: 10.1002/cmdc.201700358

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    Take a load off: We investigated the drug-releasing behavior of a calcium carbonate (CaCO3)–gelatin hybrid nanocarrier fabricated through a single process using biomimetic mineralization. Drug release from the nanocarrier depends largely on the surrounding pH, with low pH conditions favoring cargo dissociation from the carrier.

  2. What Are We Missing? The Detergent Triton X-100 Added to Avoid Compound Aggregation Can Affect Assay Results in an Unpredictable Manner

    Dr. Fabian G. R. Ehlert, Dr. Kerstin Linde and Prof. Dr. Wibke E. Diederich

    Version of Record online: 23 AUG 2017 | DOI: 10.1002/cmdc.201700329

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    To be or not to be: Herein we show that the addition of Triton X-100, which is widely used to detect unspecific binding of compounds, significantly decreases the binding affinities of HIV-1 protease inhibitors that show conclusive SAR with protein-specific binding modes as confirmed by X-ray crystallography. Notably, the addition of the zwitterionic detergent CHAPS had only a marginal influence on the determined Ki values.

  3. You have full text access to this OnlineOpen article
    Matched Molecular Pair Analysis on Large Melting Point Datasets: A Big Data Perspective

    Michael Withnall, Dr. Hongming Chen and Dr. Igor V. Tetko

    Version of Record online: 23 AUG 2017 | DOI: 10.1002/cmdc.201700303

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    An MMP for MPs: A matched molecular pair analysis was used to examine the change in melting point (ΔMP) between molecules in a set of ∼275 000 compounds. We found many cases in which the ΔMP correlates with changes in functional groups and simple descriptors, such as number of hydrogen bond donors and acceptors. We observed that this method remains stable and scales well with larger datasets, indicating its utility as a simple privacy-preserving technique to analyze large proprietary databases and share findings.

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    The XXIV National Meeting in Medicinal Chemistry (NMMC 2016) in Perugia, Italy

    Prof. Violetta Cecchetti and Prof. Benedetto Natalini

    Version of Record online: 23 AUG 2017 | DOI: 10.1002/cmdc.201700465

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    A Special Year of Italian Medchem: Guest Editors Violetta Cecchetti and Benedetto Natalini of the University of Perugia look back at the XXIV National Meeting in Medicinal Chemistry (NMMC 2016) held in Perugia, Italy. It was this at special conference where ChemMedChem also held its 10th Anniversary Celebration. In this editorial, they provide highlights of last year′s events, including some key presentations now collected in this Special Issue.

  5. Opioid tripeptides hybridized with trans-1-cinnamylpiperazine as proliferation inhibitors of pancreatic cancer cells in two- and three-dimensional in vitro models

    Anna K Laskowska, Anna K Puszko, Piotr Sosnowski, Krzysztof Różycki, Piotr Kosson, Joanna Matalińska, Marek Durlik and Aleksandra Misicka

    Accepted manuscript online: 18 AUG 2017 11:11PM EST | DOI: 10.1002/cmdc.201700453

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