Blind docking of 4-Amino-7-Chloroquinoline analogs as potential dengue virus protease inhibitor using CB Dock a web server
NOPR - NISCAIR Online Periodicals Repository
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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
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Creator |
Ranade, Prasanna B
Navale, Dinesh N Zote, Santosh W Kulal, Dnyaneshwar K Wagh, Swapnil J |
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Subject |
2FOM
ADME Amino Acids Drug design Quinoline |
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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. |
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Date |
2023-01-10T09:21:30Z
2023-01-10T09:21:30Z 2023-01 |
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Type |
Article
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Identifier |
0975-0959 (Online); 0301-1208 (Print)
http://nopr.niscpr.res.in/handle/123456789/61185 https://doi.org/10.56042/ijbb.v60i1.64604 |
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Language |
en
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Publisher |
NIScPR-CSIR, India
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Source |
IJBB Vol.60(01) [January 2023]
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