Molecular modeling, quantum polarized ligand docking and structure-based 3D-QSAR analysis of the imidazole series as dual AT1 and ETA receptor antagonists

Khuraijam Dhanachandra Singh; Karthikeyan Muthusamy

doi:10.1038/aps.2013.129

Molecular modeling, quantum polarized ligand docking and structure-based 3D-QSAR analysis of the imidazole series as dual AT1 and ETA receptor antagonists

Acta Pharmacologica Sinica ◽

10.1038/aps.2013.129 ◽

2013 ◽

Vol 34 (12) ◽

pp. 1592-1606 ◽

Cited By ~ 30

Author(s):

Khuraijam Dhanachandra Singh ◽

Karthikeyan Muthusamy

Keyword(s):

Molecular Modeling ◽

3D Qsar ◽

Ligand Docking ◽

Receptor Antagonists ◽

Qsar Analysis ◽

Eta Receptor

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WITHDRAWN: QSAR analysis and 3D QSAR kNN-MFA approach on a series of substituted quinolines derivatives as angiotensin II receptor antagonists

Arabian Journal of Chemistry ◽

10.1016/j.arabjc.2011.07.008 ◽

2011 ◽

Cited By ~ 15

Author(s):

Mukesh C. Sharma ◽

D.V. Kohli

Keyword(s):

Angiotensin Ii ◽

3D Qsar ◽

Angiotensin Ii Receptor ◽

Angiotensin Ii Receptor Antagonists ◽

Receptor Antagonists ◽

Qsar Analysis ◽

Substituted Quinolines

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Identifying the structural features and diversifying the chemical domain of peripherally acting CB1 receptor antagonists using molecular modeling techniques

RSC Advances ◽

10.1039/c5ra20612j ◽

2016 ◽

Vol 6 (2) ◽

pp. 1466-1483 ◽

Cited By ~ 5

Author(s):

Mayank Kumar Sharma ◽

Prashant R. Murumkar ◽

Guanglin Kuang ◽

Yun Tang ◽

Mange Ram Yadav

Keyword(s):

Molecular Modeling ◽

Virtual Screening ◽

3D Qsar ◽

Structural Features ◽

Cb1 Receptor ◽

Receptor Antagonists ◽

Modeling Techniques ◽

Qsar Models ◽

Cb1 Receptor Antagonists

A four featured pharmacophore and predictive 3D-QSAR models were developed which were used for virtual screening of the Asinex database to get chemically diverse hits of peripherally active CB1 receptor antagonists.

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3D-QSAR Analysis and Molecular Modeling Investigations of Piritrexim and Analogous

Journal of Molecular Modeling ◽

10.1007/s008940050048 ◽

1997 ◽

Vol 3 (8) ◽

pp. 338-346 ◽

Cited By ~ 1

Author(s):

Romy Fleischer ◽

Michael Wiese ◽

Reinhard Troschütz ◽

Mario Zink

Keyword(s):

Molecular Modeling ◽

3D Qsar ◽

Qsar Analysis

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Molecular modeling studies of Rho kinase inhibitors using molecular docking and 3D-QSAR analysis

European Journal of Medicinal Chemistry ◽

10.1016/j.ejmech.2010.02.059 ◽

2010 ◽

Vol 45 (7) ◽

pp. 2768-2776 ◽

Cited By ~ 11

Author(s):

Jin Qin ◽

Beilei Lei ◽

Lili Xi ◽

Huanxiang Liu ◽

Xiaojun Yao

Keyword(s):

Molecular Docking ◽

Molecular Modeling ◽

Kinase Inhibitors ◽

Rho Kinase ◽

3D Qsar ◽

Qsar Analysis ◽

Rho Kinase Inhibitors ◽

Modeling Studies ◽

Molecular Modeling Studies

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A 3D QSAR analysis ofin vitro binding affinity and selectivity of 3-isoxazolylsulfonylaminothiophenes as endothelin receptor antagonists

Quantitative Structure-Activity Relationships ◽

10.1002/(sici)1521-3838(199906)18:2<124::aid-qsar124>3.0.co;2-7 ◽

1999 ◽

Vol 18 (2) ◽

pp. 124-133 ◽

Cited By ~ 2

Author(s):

Qi Chen ◽

Chengde Wu ◽

David Maxwell ◽

George A. Krudy ◽

Richard A. F. Dixon ◽

...

Keyword(s):

Binding Affinity ◽

3D Qsar ◽

Endothelin Receptor Antagonists ◽

Endothelin Receptor ◽

Receptor Antagonists ◽

Qsar Analysis ◽

Vitro Binding

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3D-QSAR Analysis and Molecular Docking Studies on 3-Arylcoumarin Derivatives as Potential α- Glucosidase Inhibitors

10.37421/mccr.2020.10.548 ◽

2020 ◽

Vol 10 (6) ◽

Author(s):

Gupta K ◽

Tuteja JS

Keyword(s):

Molecular Docking ◽

3D Qsar ◽

Docking Studies ◽

Molecular Docking Studies ◽

Qsar Analysis ◽

Glucosidase Inhibitors

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3D-QSAR Analysis on N-Phenylacetanoyl-L-Homoserine Lactones as Inhibitors of Bacterial Quorum Sensing via CoMFA Approach

Letters in Drug Design & Discovery ◽

10.2174/157018008785909831 ◽

2008 ◽

Vol 5 (7) ◽

pp. 449-453

Author(s):

Ping-Hua Sun ◽

Zhao-Qi Yang ◽

Wei-Min Chen ◽

Qian Liu ◽

Xin-Sheng Yao

Keyword(s):

Quorum Sensing ◽

3D Qsar ◽

Homoserine Lactones ◽

Qsar Analysis ◽

Bacterial Quorum Sensing ◽

Bacterial Quorum

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Lacosamide Derivatives with Anticonvulsant Activity as Carbonic Anhydrase Inhibitors. Molecular Modeling, Docking and QSAR Analysis

Current Computer - Aided Drug Design ◽

10.2174/1573409910666140410123706 ◽

2014 ◽

Vol 10 (2) ◽

pp. 160-167 ◽

Cited By ~ 4

Author(s):

Juan Martinez ◽

Esteban Vega-Hissi ◽

Matias Andrada ◽

Pablo Duchowicz ◽

Francisco Torrens ◽

...

Keyword(s):

Molecular Modeling ◽

Carbonic Anhydrase ◽

Anticonvulsant Activity ◽

Carbonic Anhydrase Inhibitors ◽

Qsar Analysis

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3D-QSAR Methodologies and Molecular Modeling in Bioinformatics for the Search of Novel Anti-HIV Therapies: Rational Design of Entry Inhibitors

Current Bioinformatics ◽

10.2174/1574893611308040007 ◽

2013 ◽

Vol 8 (4) ◽

pp. 452-464 ◽

Cited By ~ 9

Author(s):

Alejandro Speck-Planche ◽

Valeria Kleandrova ◽

Marcus Scotti ◽

M. Cordeiro

Keyword(s):

Molecular Modeling ◽

Rational Design ◽

3D Qsar ◽

Entry Inhibitors ◽

Anti Hiv

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Integrated Computational Tools for Identification of CCR5 Antagonists as Potential HIV-1 Entry Inhibitors: Homology Modeling, Virtual Screening, Molecular Dynamics Simulations and 3D QSAR Analysis

Molecules ◽

10.3390/molecules19045243 ◽

2014 ◽

Vol 19 (4) ◽

pp. 5243-5265 ◽

Cited By ~ 7

Author(s):

Suri Moonsamy ◽

Radha Dash ◽

Mahmoud Soliman

Keyword(s):

Molecular Dynamics ◽

Virtual Screening ◽

Homology Modeling ◽

3D Qsar ◽

Computational Tools ◽

Qsar Analysis ◽

Entry Inhibitors ◽

Ccr5 Antagonists ◽

Dynamics Simulations ◽

Hiv 1

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