Blind docking of 4-Amino-7-Chloroquinoline analogs as potential dengue virus protease inhibitor using CB Dock a web server
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Date
2023-01
Journal Title
Journal ISSN
Volume Title
Publisher
CSIR-NIScPR
Abstract
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.
Description
Keywords
2FOM, ADME, Amino Acids, Drug design, Quinoline
Citation
B Ranade Prasanna, N Navale Dinesh, W Zote Santosh, Kulal Dnyaneshwar K, Wagh Swapnil J. Blind docking of 4-Amino-7-Chloroquinoline analogs as potential dengue virus protease inhibitor using CB Dock a web server. Indian Journal of Biochemistry & Biophysics. 2023 Jan; 60(1): 55-57