Search Result "Gasteiger-Huckel"

3D-QSAR Approaches in Drug Design: Perspectives to Generate Reliable CoMFA Models

Journal: Current Computer-Aided Drug Design
Volume: 10 Issue: 2 Year: 2014 Page: 148-159
Author(s): Cleber Camilo Melo-Filho,Rodolpho Campos Braga,Carolina Horta Andrade

3D-QSAR Study on a Series of Bcl-2 Protein Inhibitors Using Comparative Molecular Field Analysis

Journal: Protein & Peptide Letters
Volume: 18 Issue: 5 Year: 2011 Page: 440-449
Author(s): Xuben Hou, Jintong Du, Hao Fang, Minyong Li

Insight into the Structural Requirements of Narlaprevir-Type Inhibitors of NS3/NS4A Protease Based on HQSAR and Molecular Field Analyses

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 15 Issue: 6 Year: 2012 Page: 439-450
Author(s): Jingyu Zhu,Youyong Li,Huidong Yu,Liling Zhang,Xinliang Mao,Tingjun Hou

How to Generate Reliable and Predictive CoMFA Models

Journal: Current Medicinal Chemistry
Volume: 18 Issue: 6 Year: 2011 Page: 923-930
Author(s): Lei Zhang, Keng-Chang Tsai, Lupei Du, Hao Fang, Minyong Li, Wenfang Xu

Research Article

3D-QSAR and Molecular Docking Studies of Pyrazole Derivatives as Inhibitors of Enoyl Acyl Carrier Protein Reductase from Mycobacterium tuberculosis

Journal: Letters in Drug Design & Discovery
Volume: 14 Issue: 4 Year: 2017 Page: 414-433
Author(s): Sheshagiri R. Dixit,Shrinivas D. Joshi,V. H. Kulkarni,Tejraj M. Aminabhavi

Computational Insights into the Inhibition of Influenza Viruses by Rupestonic Acid Derivatives: Pharmacophore Modeling, 3D-QSAR, CoMFA and COMSIA Studies

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 1 Year: 2015 Page: 63-74
Author(s): Karthikeyan Muthusamy,Palani Kirubakaran,Gopinath Krishnasamy,Raja Rajeshwari Thanashankar

Molecular Docking Studies of Some Novel Antidepressant 5-Substituted Phenyl-3-(Thiophen-2-yl)-4, 5-Dihydro-1h-Pyrazole-1-Carboxamides Against Monoamine Oxidase Isoforms

Journal: Central Nervous System Agents in Medicinal Chemistry
Volume: 16 Issue: 2 Year: 2016 Page: 75-80
Author(s): Bijo Mathew,Jerad Suresh,Sockalingam Anbazhagan,Sanal Dev

Molecular Modeling Study on Diazine Indole Acetic Acid Derivatives for CRTH2 Inhibitory Activity

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 6 Year: 2016 Page: 444-460
Author(s): Sathya Babu,Mottadi Rupa,Santhosh Kumar Nagarajan,Honglae Sohn,Thirumurthy Madhavan

Research Article

Molecular Docking and 3D-QSAR Studies on 7-azaindole Derivatives as Inhibitors of Trk A: A Strategic Design in Novel Anticancer Agents

Journal: Letters in Drug Design & Discovery
Volume: 15 Issue: 1 Year: 2018 Page: 1211-1223
Author(s): Adnane Aouidate,Adib Ghaleb,Mounir Ghamali,Samir Chtita,Abdellah Ousaa,M`barek Choukrad,Abdelouahid Sbai,Mohammed Bouachrine,Tahar Lakhlifi

Research Article

A 3D-QSAR Study on Betulinic Acid Derivatives as Anti-Tumor Agents and the Synthesis of Novel Derivatives for Modeling Validation

Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 17 Issue: 4 Year: 2017 Page: 566-575
Author(s): Weimin Ding,Sheng Zhang,Meixuan Zhu,Shaoming Wang,Tao Xu,Haijing Qu,Tao Yu,Xiufeng Yan,Yang Wang

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