Record Details

Blind docking of 4-Amino-7-Chloroquinoline analogs as potential dengue virus protease inhibitor using CB Dock a web server

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Title Blind docking of 4-Amino-7-Chloroquinoline analogs as potential dengue virus protease inhibitor using CB Dock a web server
 
Creator Ranade, Prasanna B
Navale, Dinesh N
Zote, Santosh W
Kulal, Dnyaneshwar K
Wagh, Swapnil J
 
Subject 2FOM
ADME
Amino Acids
Drug design
Quinoline
 
Description 55-57
Currently, there is no approved drug to combat dengue. Various quinoline derivatives are known for potential
antimalarial, antiviral activities, etc. In the present work docking between 4-Amino-7-Chloroquinoline analogs was
performed with dengue virus NS2B/NS3 protease using CB dock, a web server. Lys74, Ile165, Val147, Asn152, Asn167,
Trp83 and Leu149 amino acid residues were found to be in contact with designed 4-Amino-7-Chloroquinoline analogs.
Different modes of binding like hydrogen bonding, hydrophobic interactions, etc with designed compounds improve
potential anti-dengue characteristics in silico. ADME results are in acceptable range.
 
Date 2023-01-10T09:21:30Z
2023-01-10T09:21:30Z
2023-01
 
Type Article
 
Identifier 0975-0959 (Online); 0301-1208 (Print)
http://nopr.niscpr.res.in/handle/123456789/61185
https://doi.org/10.56042/ijbb.v60i1.64604
 
Language en
 
Publisher NIScPR-CSIR, India
 
Source IJBB Vol.60(01) [January 2023]