Discovery of Novel Pim-1 Kinase Inhibitors by a Hierarchical Multistage Virtual Screening Approach Based on SVM Model, Pharmacophore, and Molecular Docking

2011 ◽  
Vol 51 (6) ◽  
pp. 1364-1375 ◽  
Author(s):  
Ji-Xia Ren ◽  
Lin-Li Li ◽  
Ren-Lin Zheng ◽  
Huan-Zhang Xie ◽  
Zhi-Xing Cao ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Virtual Screening ◽  
Kinase Inhibitors ◽  
Screening Approach ◽  
Svm Model ◽  
Virtual Screening Approach

scholarly journals Simeprevir and Eltrombopag as Potential Inhibitors of SARS-CoV2 Proteases: A Molecular Docking and Virtual Screening Approach to Combat COVID-19

2020 ◽  
Author(s):  
Ananta Swargiary ◽  
AKALESH Verma ◽  
Manita Daimari ◽  
Mritunjoy Kumar Roy
Keyword(s):  
Molecular Docking ◽  
Virtual Screening ◽  
Binding Affinities ◽  
Screening Approach ◽  
Approved Drugs ◽  
Potential Inhibitors ◽  
Fda Approved Drugs ◽  
Virtual Screening Approach

The present study investigates the binding affinities of 61 FDA approved drugs against two key proteases of SARS-COV2, 3-chymotrypsin-like protease and papain-like protease. We also investigates the ADMET properties of the top 10 besting binding drugs to understand the drug likeness property.

Structure-based virtual screening approach to the discovery of p38 MAP kinase inhibitors

2012 ◽  
Vol 22 (6) ◽  
pp. 2195-2199 ◽  
Author(s):  
Hwanho Choi ◽  
Ho Jeong Park ◽  
Jong Chul Shin ◽  
Hyun Sun Ko ◽  
Jung Kyun Lee ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Map Kinase ◽  
Kinase Inhibitors ◽  
P38 Map Kinase ◽  
Screening Approach ◽  
P38 Map Kinase Inhibitors ◽  
Virtual Screening Approach

Identification of some novel AHAS inhibitors via molecular docking and virtual screening approach

2007 ◽  
Vol 15 (1) ◽  
pp. 374-380 ◽  
Author(s):  
Jian-Guo Wang ◽  
Yong-Jun Xiao ◽  
Yong-Hong Li ◽  
Yi Ma ◽  
Zheng-Ming Li
Keyword(s):  
Molecular Docking ◽  
Virtual Screening ◽  
Screening Approach ◽  
Virtual Screening Approach
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