Chemical Biology & Drug Design

© John Wiley & Sons A/S. Published by John Wiley & Sons Ltd

Cover image for Vol. 81 Issue 5

Early View (Online Version of Record published before inclusion in an issue)

Edited By: David Selwood

Impact Factor: 2.282

ISI Journal Citation Reports © Ranking: 2011: 30/59 (Chemistry Medicinal); 182/290 (Biochemistry & Molecular Biology)

Online ISSN: 1747-0285

  1. Research Articles

    1. Theoretical Characterization of Galanin Receptor Type 3 (Gal3) and Its Interaction with Agonist (GALANIN) and Antagonists (SNAP 37889 and SNAP 398299): An In Silico Analysis

      Gugan Kothandan, Changdev G. Gadhe and Seung J. Cho

      Article first published online: 17 APR 2013 | DOI: 10.1111/cbdd.12128

      Thumbnail image of graphical abstract

      Homology modeling of Gal3 receptor and galanin agonist was carried out. Docking of selective antagonists and agonist into the predicted binding site was performed. CoMFA models were obtained using ligand-based and receptor-guided alignment schemes. Crucial residues in the binding site were identified, and mutagenesis studies are warranted.

    2. Design, Synthesis, Structural Characterization by IR, 1H, 13C, 15N, 2D-NMR, X-Ray Diffraction and Evaluation of a New Class of Phenylaminoacetic Acid Benzylidene Hydrazines as pfENR Inhibitors

      Ramanuj P. Samal, Vijay M. Khedkar, Raghuvir R. S. Pissurlenkar, Angela Gono Bwalya, Deniz Tasdemir, Ramesh A. Joshi, P. R. Rajamohanan, Vedavati G. Puranik and Evans C. Coutinho

      Article first published online: 11 APR 2013 | DOI: 10.1111/cbdd.12118

    3. Identification of Peptides with ELAV-like mRNA-Stabilizing Effect: An Integrated In Vitro/In Silico Approach

      Marialaura Amadio, Alessia Pascale, Stefano Govoni, Erik Laurini, Sabrina Pricl, Raffaella Gaggeri, Daniela Rossi and Simona Collina

      Article first published online: 11 APR 2013 | DOI: 10.1111/cbdd.12117

    4. Synthesis, Antidepressant Evaluation and Docking Studies of Long-Chain Alkylnitroquipazines as Serotonin Transporter Inhibitors

      Mari Gabrielsen, Karol Wołosewicz, Anna Zawadzka, Jerzy Kossakowski, Gabriel Nowak, Małgorzata Wolak, Katarzyna Stachowicz, Agata Siwek, Aina W. Ravna, Irina Kufareva, Lech Kozerski, Elżbieta Bednarek, Jerzy Sitkowski, Wojciech Bocian, Ruben Abagyan, Andrzej J. Bojarski, Ingebrigt Sylte and Zdzisław Chilmonczyk

      Article first published online: 11 APR 2013 | DOI: 10.1111/cbdd.12116

    5. Chemometrics-Based Approach to Feature Selection of Chromatographic Profiles and its Application to Search Active Fraction of Herbal Medicine

      Chao Chen, Jie Yuan, Xiao-Jie Li, Zhi-Bin Shen, Dao-Hai Yu, Jun-Fang Zhu and Fan-Lin Zeng

      Article first published online: 4 APR 2013 | DOI: 10.1111/cbdd.12114

      Thumbnail image of graphical abstract

      In this paper, a computational model was proposed to predict the bioactivity of herbal medicine (HM) based on the selected features from its chromatograms. It was verified with good performance and can be extended to help search the active fractions of other HMs.

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