Contents

Current Computer-Aided Drug Design, Volume 10 - Number 1

Preface

Preface: Differential Quantitative Structure-Activity Relationship (DiffQSAR) in the Characterization of Emerging Drug Resistance

, 10(1): 1 - 2

Subhash C. Basak


DOI: 10.2174/157340991001140501144526




Molecular Properties Prediction, Docking Studies, and Antimicrobial Screening of 1,3,4-Thiadiazole and s-Triazole Derivatives

, 10(1): 3 - 14

Agata Siwek, Tomasz Plech, Joanna Stefanska, Pawel Staczek and Aleksandra Strzelczyk


DOI: 10.2174/15734099113096660033




Computationally Designed Atovaquone Prodrugs Based on Bruices Enzyme Model

, 10(1): 15 - 27

Rafik Karaman, Beesan Fattash, Genarro Mecca and Maryam Bader


DOI: 10.2174/15734099113096660049




QSAR Analysis and Molecular Docking Simulation of Suggested Peptidomimetic NS3 Protease Inhibitors

, 10(1): 28 - 40

Hamdy I.A. Mostafa, Nihal. S. El-bialy, Ahmed A. Ezat, Noha. A. Saleh and Medhat A. Ibrahim


DOI: 10.2174/15734099113096660048




Histidine Hydrogen Bonding in MHC at pH 5 and pH 7 Modeled by Molecular Docking and Molecular Dynamics Simulations

, 10(1): 41 - 49

Atanas Patronov, Edvokiya Salamanova, Ivan Dimitrov, Darren R. Flower and Irini Doytchinova


DOI: 10.2174/15734099113096660050




Docking and Virtual Screening to Identify PKC Agonists: Potentials in Anticancer Therapeutics

, 10(1): 50 - 58

Anish Jain and Vishal Trivedi


DOI: 10.2174/15734099113096660035




Molecular Modeling on Streptolysin-O of Multidrug Resistant Streptococcus pyogenes and Computer Aided Screening and In Vitro Assay for Novel Herbal Inhibitors

, 10(1): 59 - 74

Sinosh Skariyachan, Naik Sowmyalaxmi Narayan, Tejaswini S Aggimath, Sushmitha Nagaraj, Monika S Reddy and Rajeswari Narayanappa


DOI: 10.2174/1573409910666140401103910




QSAR Models for Anti-Malarial Activity of 4-Aminoquinolines

, 10(1): 75 - 82

Vijay H. Masand, Andrey A. Toropov, Alla P. Toropova and Devidas T. Mahajan


DOI: 10.2174/1573409910666140303114621




Marine Natural Products as Acetylcholinesterase Inhibitor: Comparative Quantum Mechanics and Molecular Docking Study

, 10(1): 83 - 95

Maryam Farrokhnia and Iraj Nabipour


DOI: 10.2174/1573409910666140408155615




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