Small Molecule Inhibitors of Histone Arginine Methyltransferases:  Homology Modeling, Molecular Docking, Binding Mode Analysis, and Biological Evaluations

2007 ◽  
Vol 50 (6) ◽  
pp. 1241-1253 ◽  
Author(s):  
Rino Ragno ◽  
Silvia Simeoni ◽  
Sabrina Castellano ◽  
Caterina Vicidomini ◽  
Antonello Mai ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Homology Modeling ◽  
Small Molecule ◽  
Small Molecule Inhibitors ◽  
Binding Mode ◽  
Mode Analysis

scholarly journals Discovery of Keap1−Nrf2 small−molecule inhibitors from phytochemicals based on molecular docking

2019 ◽  
Vol 133 ◽  
pp. 110758 ◽  
Author(s):  
Maiquan Li ◽  
Weisu Huang ◽  
Fan Jie ◽  
Mengmeng Wang ◽  
Yongheng Zhong ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Small Molecule ◽  
Small Molecule Inhibitors

Molecular docking and MM/GBSA integrated protocol for designing small molecule inhibitors against HIV-1 gp41

2014 ◽  
Vol 24 (2) ◽  
pp. 829-841 ◽  
Author(s):  
Ramakrishna Munnaluri ◽  
Sree Kanth Sivan ◽  
Vijjulatha Manga
Keyword(s):  
Molecular Docking ◽  
Small Molecule ◽  
Small Molecule Inhibitors ◽  
Hiv 1

In Vitro, Molecular Docking, and In Silico Binding Mode Analysis of Organic Compounds for Antimicrobial and Anticancer Activity against Jurkat, HCT116, and A549 Cell Lines.

2020 ◽  
Vol 5 (41) ◽  
pp. 12807-12818
Author(s):  
Sanay Naha ◽  
Shivaraja Govindaiah ◽  
Swamy Sreenivasa ◽  
Jeevan Kallur Prakash ◽  
Sivan Velmathi
Keyword(s):  
Molecular Docking ◽  
Anticancer Activity ◽  
Organic Compounds ◽  
Cell Lines ◽  
A549 Cell ◽  
In Silico ◽  
Binding Mode ◽  
Mode Analysis

3D-QSAR, molecular docking, and new compound design of pyrimidine derivatives as Src small molecule inhibitors

2019 ◽  
Vol 28 (8) ◽  
pp. 1246-1263
Author(s):  
Jun-wei Wang ◽  
Ya-ting Deng ◽  
Han Chu ◽  
Juan Wang ◽  
Yong Hu ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Small Molecule ◽  
Small Molecule Inhibitors ◽  
3D Qsar ◽  
Pyrimidine Derivatives ◽  
Compound Design

scholarly journals Molecular Docking Studies and Comparative Binding Mode Analysis of FDA Approved HIV Protease Inhibitors

2014 ◽  
Vol 26 (18) ◽  
pp. 6227-6232 ◽  
Author(s):  
Pran Kishore Deb ◽  
Ahmad Junaid ◽  
Dina El-Rabie ◽  
Tan Yee Hon ◽  
Elham Mohammadi Nasr ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Protease Inhibitors ◽  
Binding Mode ◽  
Docking Studies ◽  
Hiv Protease ◽  
Mode Analysis ◽  
Hiv Protease Inhibitors ◽  
Molecular Docking Studies ◽  
Comparative Binding

scholarly journals Discovery of small molecule inhibitors of ubiquitin-like poxvirus proteinase I7L using homology modeling and covalent docking approaches

2007 ◽  
Vol 21 (10-11) ◽  
pp. 549-558 ◽  
Author(s):  
Vsevolod Katritch ◽  
Chelsea M. Byrd ◽  
Vladimir Tseitin ◽  
Dongcheng Dai ◽  
Eugene Raush ◽  
...  
Keyword(s):  
Homology Modeling ◽  
Small Molecule ◽  
Small Molecule Inhibitors ◽  
Covalent Docking
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