Identification of NovelS-Adenosyl-l-Homocysteine Hydrolase Inhibitors through Homology-Model-Based Virtual Screening, Synthesis, and Biological Evaluation

Prashant Khare; Amit K. Gupta; Praveen K. Gajula; Krishna Y. Sunkari; Anil K. Jaiswal; Sanchita Das; Preeti Bajpai; Tushar K. Chakraborty; Anuradha Dube; Anil K. Saxena

doi:10.1021/ci2005862

Identification of NovelS-Adenosyl-l-Homocysteine Hydrolase Inhibitors through Homology-Model-Based Virtual Screening, Synthesis, and Biological Evaluation

Journal of Chemical Information and Modeling ◽

10.1021/ci2005862 ◽

2012 ◽

Vol 52 (3) ◽

pp. 777-791 ◽

Cited By ~ 12

Author(s):

Prashant Khare ◽

Amit K. Gupta ◽

Praveen K. Gajula ◽

Krishna Y. Sunkari ◽

Anil K. Jaiswal ◽

...

Keyword(s):

Virtual Screening ◽

Homology Model ◽

Biological Evaluation ◽

Model Based ◽

Synthesis And Biological Evaluation

Download Full-text

Pharmacophore model-based virtual screening, docking, biological evaluation and molecular dynamics simulations for inhibitors discovery against α-tryptophan synthase from Mycobacterium tuberculosis

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2020.1715259 ◽

2020 ◽

pp. 1-11 ◽

Cited By ~ 3

Author(s):

Sadia Naz ◽

Umar Farooq ◽

Sara Khan ◽

Rizwana Sarwar ◽

Yahia Nasser Mabkhot ◽

...

Keyword(s):

Molecular Dynamics ◽

Mycobacterium Tuberculosis ◽

Virtual Screening ◽

Molecular Dynamics Simulations ◽

Pharmacophore Model ◽

Biological Evaluation ◽

Tryptophan Synthase ◽

Model Based ◽

Dynamics Simulations

Download Full-text

ChemInform Abstract: Homology Model-Based Virtual Screening for GPCR Ligands Using Docking and Target-Biased Scoring.

ChemInform ◽

10.1002/chin.200833221 ◽

2008 ◽

Vol 39 (33) ◽

Author(s):

Sebastian Radestock ◽

Tanja Weil ◽

Steffen Renner

Keyword(s):

Virtual Screening ◽

Homology Model ◽

Model Based

Download Full-text

The Discovery of a Novel and Selective Inhibitor of PTP1B Over TCPTP: 3D QSAR Pharmacophore Modeling, Virtual Screening, Synthesis, and Biological Evaluation

Chemical Biology & Drug Design ◽

10.1111/cbdd.12283 ◽

2014 ◽

Vol 83 (6) ◽

pp. 697-709 ◽

Cited By ~ 19

Author(s):

Ying Ma ◽

Yuan-Yuan Jin ◽

Ye-Liu Wang ◽

Run-Ling Wang ◽

Xin-Hua Lu ◽

...

Keyword(s):

Virtual Screening ◽

3D Qsar ◽

Pharmacophore Modeling ◽

Biological Evaluation ◽

Selective Inhibitor ◽

Synthesis And Biological Evaluation

Download Full-text

Discovery of 2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide derivatives as new RORγ inhibitors using virtual screening, synthesis and biological evaluation

European Journal of Medicinal Chemistry ◽

10.1016/j.ejmech.2014.03.065 ◽

2014 ◽

Vol 78 ◽

pp. 431-441 ◽

Cited By ~ 24

Author(s):

Yan Zhang ◽

Xiaoqian Xue ◽

Xiangyu Jin ◽

Yu Song ◽

Jing Li ◽

...

Keyword(s):

Virtual Screening ◽

Biological Evaluation ◽

Synthesis And Biological Evaluation

Download Full-text

Pharmacophore and docking-based hierarchical virtual screening for the designing of aldose reductase inhibitors: synthesis and biological evaluation

Medicinal Chemistry Research ◽

10.1007/s00044-016-1510-5 ◽

2016 ◽

Vol 25 (4) ◽

pp. 609-626 ◽

Cited By ~ 8

Author(s):

Bhawna Vyas ◽

Manjinder Singh ◽

Maninder Kaur ◽

Om Silakari ◽

Malkeet Singh Bahia ◽

...

Keyword(s):

Virtual Screening ◽

Aldose Reductase ◽

Biological Evaluation ◽

Aldose Reductase Inhibitors ◽

Reductase Inhibitors ◽

Synthesis And Biological Evaluation

Download Full-text

Discovery of HIV-1 Integrase Inhibitors: Pharmacophore Mapping, Virtual Screening, Molecular Docking, Synthesis, and Biological Evaluation

Chemical Biology & Drug Design ◽

10.1111/cbdd.12207 ◽

2013 ◽

Vol 83 (2) ◽

pp. 154-166 ◽

Cited By ~ 7

Author(s):

Hardik Bhatt ◽

Paresh Patel ◽

Christophe Pannecouque

Keyword(s):

Molecular Docking ◽

Virtual Screening ◽

Biological Evaluation ◽

Integrase Inhibitors ◽

Pharmacophore Mapping ◽

Synthesis And Biological Evaluation ◽

Hiv 1

Download Full-text

Identification of Dipeptidyl Peptidase IV Inhibitors: Virtual Screening, Synthesis and Biological Evaluation

Chemical Biology & Drug Design ◽

10.1111/cbdd.12327 ◽

2014 ◽

Vol 84 (3) ◽

pp. 364-377 ◽

Cited By ~ 9

Author(s):

Junhao Xing ◽

Qing Li ◽

Shengping Zhang ◽

Haomiao Liu ◽

Leilei Zhao ◽

...

Keyword(s):

Virtual Screening ◽

Dipeptidyl Peptidase ◽

Biological Evaluation ◽

Dipeptidyl Peptidase Iv ◽

Dipeptidyl Peptidase Iv Inhibitors ◽

Synthesis And Biological Evaluation

Download Full-text

Virtual screening, synthesis and biological evaluation of DNA intercalating antiviral agents

Bioorganic & Medicinal Chemistry Letters ◽

10.1016/j.bmcl.2017.06.035 ◽

2017 ◽

Vol 27 (16) ◽

pp. 3915-3919

Author(s):

Kyrylo Klimenko ◽

Sergey Lyakhov ◽

Marina Shibinskaya ◽

Alexander Karpenko ◽

Gilles Marcou ◽

...

Keyword(s):

Virtual Screening ◽

Antiviral Agents ◽

Biological Evaluation ◽

Synthesis And Biological Evaluation

Download Full-text

PyRod Enables Rational Homology Model‐based Virtual Screening Against MCHR1

Molecular Informatics ◽

10.1002/minf.202000020 ◽

2020 ◽

Vol 39 (6) ◽

pp. 2000020

Author(s):

David Schaller ◽

Gerhard Wolber

Keyword(s):

Virtual Screening ◽

Homology Model ◽

Rational Homology ◽

Model Based

Download Full-text

Homology Model-Based Virtual Screening for the Identification of Human Helicase DDX3 Inhibitors

Journal of Chemical Information and Modeling ◽

10.1021/acs.jcim.5b00419 ◽

2015 ◽

Vol 55 (11) ◽

pp. 2443-2454 ◽

Cited By ~ 22

Author(s):

Roberta Fazi ◽

Cristina Tintori ◽

Annalaura Brai ◽

Lorenzo Botta ◽

Manikandan Selvaraj ◽

...

Keyword(s):

Virtual Screening ◽

Homology Model ◽

Model Based

Download Full-text