Search Result "3DQSAR"

Research Article

Pharmacophore-Based 3DQSAR and Molecular Docking Studies to Identify New Non-Peptidic Inhibitors of Cathepsin S

Journal: Current Medicinal Chemistry
Volume: 21 Issue: 16 Year: 2014 Page: 1910-1921
Author(s): M.B. Battu,A.M. Chandra,D. Sriram,P. Yogeeswari

Pharmacophore Based 3DQSAR of Phenothiazines as Specific Human Butyrylcholinesterase Inhibitors for Treatment of Alzheimer’s Disease

Journal: Current Computer-Aided Drug Design
Volume: 10 Issue: 4 Year: 2014 Page: 335-348
Author(s): Harish S. Kundaikar,Neha P. Agre,Mariam S. Degani

Research Article

Theoretical Studies on the Selectivity Mechanisms of Glycogen Synthase Kinase 3β (GSK3β) with Pyrazine ATP-competitive Inhibitors by 3DQSAR, Molecular Docking, Molecular Dynamics Simulation and Free Energy Calculations

Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 1 Year: 2020 Page: 17-30
Author(s): Jingyu Zhu,Yuanqing Wu,Lei Xu,Jian Jin

Non-Nucleoside Inhibitors of NS5B Polymerase Binding to Allosteric Sites: 3DQSAR and Molecular Docking Studies

Journal: Current Medicinal Chemistry
Volume: 15 Issue: 1 Year: 2008 Page: 1462-1477
Author(s): Hongyu Cao, Ran Cao, Huabei Zhang, Xuefang Zheng, Dabin Gao

Conformational Analysis using 2D NMR Spectroscopy Coupled with Computational Analysis as an Aid in the Alignment Procedure of 3DQSAR Studies

Journal: Drug Design Reviews - Online (Discontinued)
Volume: 1 Issue: 3 Year: 2004 Page: 235-245
Author(s): T. Mavromoustakos, A. Kapou, N. P. Benetis, M. Zervou

Research Article

Structure Guided Molecular Docking Assisted Alignment Dependent 3DQSAR Study on Steroidal Aromatase Inhibitors (SAIs) as Anti-breast Cancer Agents

Journal: Letters in Drug Design & Discovery
Volume: 16 Issue: 7 Year: 2019 Page: 808-817
Author(s): Laxmi Banjare,Sant Kumar Verma,Akhlesh Kumar Jain,Suresh Thareja

History and Evolution of the Pharmacophore Concept in Computer-Aided Drug Design

Journal: Current Topics in Medicinal Chemistry
Volume: 2 Issue: 1 Year: 2002 Page: 1321-1332
Author(s): Osman F. Guner

Research Article

Three-dimensional Quantitative Structure-activity Relationship (3DQSAR) and Molecular Docking Study of 2-((pyridin-3-yloxy)methyl) Piperazines as α7 Nicotinic Acetylcholine Receptor Modulators for the Treatment of Inflammatory Disorders

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 20 Issue: 11 Year: 2020 Page: 1031-1041
Author(s): Deepika Purohit,Vandana Saini,Sanjiv Kumar,Ajit Kumar,Balasubramanian Narasimhan

Research Article

Detection Method of Environmentally Friendly Non-POP PBDEs by Derivatization-Enhanced Raman Spectroscopy Using the Pharmacophore Model

Journal: Current Analytical Chemistry
Volume: 15 Issue: 6 Year: 2019 Page: 656-667
Author(s): Shujing Zhang,Youli Qiu,Yu Li

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