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OJVRTM
Online Journal of Veterinary Research©
(Including Medical and Laboratory Research)
Established 1994
ISSN 1328-925X
Volume 28 (10): 733-746, 2024.
Inhibition of filaria Wuchereria Bancroft Glutathione
S-transferase.
Abhilash. M. B.E, M.Tech
1Department of Biotechnology, The
Oxford college of Engineering, Bangalore,INDIA.
ABSTRACT
Abhilash. M., Inhibition of filaria Wuchereria Bancroft Glutathione
S-transferase, Onl J Vet Res., Onl J Vet Res., 28 (10): 733-746, 2024. Lymphatic filariasis
is caused by Wuchereria bancrofti nematodes. 3D structure of
Glutathione S-transferase of W. bancrofti SFM receptor is described for filariariasis. Binding energies of top 21 ligands varies
from –8.36 to –6.02 Kcal/mol. We identified 27 pockets
in 1SFM TYR 116. For ligands we selected Plumbagin structure as
screening receptor. Hits (100) from NCI database were docked with 1SFM0 for 21
conformations to yield 21 anthraquinones. Drug
molecular weights ranged 284.23 to 505.93, hydrogen bond acceptors 2 to 8,
hydrogen bonds 1 to 3, log P from 1.5724 to 5.4578, polar surface area 166.703
to 289.906 and molecular volume 105.723 to 177.576. ADME violation was observed
for 2 two compounds.
Keywords:
filariasis, Wuchereria Bancroft, Glutathione
transferase, 3D , anthraquinones.
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