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OJBTM
Online Journal of Bioinformatics
Volume 19 (2):175-180, 2018.
In silico docking of quercetin-3-O-β-D-glucoside
from Azadirachta indica
with NS2B-NS3 protease in Dengue
virus.
Vivek Dhar Dwivedi1,
Indra Prasad Tripathi1*, Ramesh Chandra
Tripathi1, Ravindra Singh1, Umesh Yadava2 and Sarad
Kumar Mishra3*
1Faculty
of Science and Environment, Mahatma Gandhi Chitrakoot
Gramodaya Vishwavidyalaya, Chitrakoot, Satna, 2Department(s)
of Physics, 3Biotechnology, Deen Dayal Upadhyay Gorakhpur
University, Gorakhpur, India
ABSTRACT
Dwivedi VD, Tripathi IP, Tripathi RC, Singh R, Yadava U,
Mishra SK., In silico docking of quercetin-3-O-β-D-glucoside from Azadirachta indica with NS2B-NS3
protease in Dengue virus, Onl J Bioinform.,
19 (2):175-180, 2018. Dengue fever is worldwide
health problem because there is no drug to treat the vector-borne disease.
Dengue virus (DENV) NS2B-NS3 protease enzyme is touted to be therapeutic target
due to its role in virus replication. We report In silico inhibitory potential of quercetin 3-β-D-glucoside from Azadirachta indica on DENV NS2B-NS3. We found that quercetin-3-O-β-D-glucoside binding energy
for protein-ligand was -7.537
kcal/mol, which suggests strong inhibitory potential against DENV NS2B-NS3. This finding
needs to be validated in vitro and in vivo.
Key-words: In Silico, Quercetin, Azadirachtin, Binding, Proteases, Dengue.
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