Search Result "Pharmacophore features"


Pharmacophore-Based Virtual Screening for Identification of Novel Neuraminidase Inhibitors and Verification of Inhibitory Activity by Molecular Docking

Journal: Medicinal Chemistry
Volume: 12 Issue: 1 Year: 2016 Page: 63-73
Author(s): Sidra Batool,Gohar Mushtaq,Warda Kamal,Mohammad A. Kamal

Research Article

Pharmacophore Based 3D-QSAR, Virtual Screening and Docking Studies on Novel Series of HDAC Inhibitors with Thiophen Linker as Anticancer Agents

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 9 Year: 2016 Page: 735-751
Author(s): Preeti Patel,Avineesh Singh,Vijay K. Patel,Deepak K. Jain,Ravichandran Veerasamy,Harish Rajak

Identification of Potent Virtual Leads Specific to S1’ Loop of ADAMTS4: Pharmacophore Modeling, 3D-QSAR, Molecular Docking and Dynamic Studies

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 3 Year: 2016 Page: 216-227
Author(s): P. Rathi Suganya,Sukesh Kalva,Lilly M. Saleena

Research Article

Identification of Novel Structurally Diverse Anaplastic Lymphoma Kinase Inhibitors Based on Pharmacophore Modeling, Virtual Screening and Molecular Docking

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 9 Year: 2016 Page: 691-704
Author(s): Rong You,Lu Zhou,Liangliang Zhong,Xiaoli Li,Suwen Zhou,Yahui Tian

Development of Energy-based Pharmacophore Model and Stepwise Virtual Screening of LRRK2 Inhibitors Through Molecular Dynamics and Mechanics

Journal: Letters in Drug Design & Discovery
Volume: 13 Issue: 1 Year: 2016 Page: 24-32
Author(s): Sagar S. Bhayye,Kunal Roy,Achintya Saha

Research Article

Discovery of Camptothecin Based Topoisomerase I Inhibitors: Identification Using an Atom Based 3D-QSAR, Pharmacophore Modeling, Virtual Screening and Molecular Docking Approach

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 9 Year: 2016 Page: 752-763
Author(s): Sanal Dev,Sunil R. Dhaneshwar,Bijo Mathew

Decoding the Structural Basis For Carbapenem Hydrolysis By Class A β-lactamases: Fishing For A Pharmacophore

Journal: Current Drug Targets
Volume: 17 Issue: 9 Year: 2016 Page: 983-1005
Author(s): Donatella Tondi, Simon Cross, Alberto Venturelli, Maria P. Costi, Gabriele Cruciani, Francesca Spyrakis

Pharmacophore and QSAR Modeling of Neuronal Nitric Oxide Synthase Ligands and Subsequent Validation and In Silico Search for New Scaffolds

Journal: Medicinal Chemistry
Volume: 12 Issue: 4 Year: 2016 Page: 371-393
Author(s): Ghadeer Suaifan,Mayadah Shehadeh,Hebah Al-Ijel,Khuloud T. Al-Jamal,Mutasem Taha

Research Article

Quantitative Analysis of Essential Molecular Features of Coumarin Derivatives with Antioxidant Activity Using Chemometric Tools

Journal: Current Computer-Aided Drug Design
Volume: 12 Issue: 3 Year: 2016 Page: 241-250
Author(s): Biplab De,Indrani Adhikari,Ashis Nandy,Achintya Saha,Binoy B. Goswami

Research Article

2-(2-Arylidenehydrazinyl) Thiazol-4(5H)-ones as Epidermal Growth Factor Receptor Inhibitors: A Combined Quantitative Structure Activity Relationship and Pharmacophore Study

Journal: Current Enzyme Inhibition
Volume: 12 Issue: 2 Year: 2016 Page: 137-144
Author(s): Piyush Ghode, Ravi Tripathi, Sanmati K. Jain

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