Record Details

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

Online Publishing @ NISCAIR

View Archive Info
 
 
Field Value
 
Authentication Code dc
 
Title Statement Blind docking of 4-Amino-7-Chloroquinoline analogs as potential dengue virus protease inhibitor using CB Dock a web server
 
Added Entry - Uncontrolled Name B Ranade, Prasanna
N Navale, Dinesh
W Zote, Santosh
Kulal, Dnyaneshwar K
Wagh, Swapnil J
 
Uncontrolled Index Term 2FOM; ADME; Amino Acids; Drug design; Quinoline
 
Summary, etc. 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.
 
Publication, Distribution, Etc. Indian Journal of Biochemistry and Biophysics (IJBB)
2023-01-06 16:57:39
 
Electronic Location and Access application/pdf
application/pdf
http://op.niscair.res.in/index.php/IJBB/article/view/64604
 
Data Source Entry Indian Journal of Biochemistry and Biophysics (IJBB); IJBB Vol. 60 (1) [January 2023]
 
Language Note en