Abstract
Aim:
To study the anti-viral activity of extracts of Berberis aristata and to
scrutinize the novel lead compound present in it probably to combat Paramoxyviridae
infection.
Methodology: The phytochemicals present in the barks of Berberis
aristata were extracted and screened by GC-MS analysis. Haemagglutination
inhibition and cytotoxicity assay was performed to determine the anti-viral
property, and the novel lead compound was selected using in-silico
methods.
Results:
Haemagglutination assay provided anti-viral activity of the extract at 1/16
dilution in 4 HA viral concentration. At this concentration, the viability on
Vero cell lines was precisely 92.8%. The GC-MS analysis enabled in
identifying six molecules present in the extract. Among the six compounds
present in the extract, five moieties exhibited drug likeliness property when
passed through the Lipinski’s drug filter. QSAR predictions using T.E.S.T
projected 3 compounds to be developmental non-toxicant with the predicted
values of 0.12, 0.32 and 0.42 respectively. On performing docking studies
with the predicted nontoxic moieties using iGEMDOCK, with the Sialic acid
complexes host receptor, the highest binding energy was -213 kcal mol-1
for alpha-d-mannofuranoside, 1-o-decyl-, respectively.
Interpretation: These findings enabled in understanding
the anti-viral potency of bark extracts of B. aristata at 62.5mg ml-1
promoting high cellular viability of uninfected cells of host cell with low
toxic effects. Probing molecularly, the in-silico analysis helped to predict
alpha-d-mannofuranoside, 1-o-decyl as the possible lead molecule supporting
its therapeutic efficacy as an anti-viral drug compound in future.
Key words: Acid dye method, Developmental non-toxicant,
Haemagglutination assay, Lipinski’s drug filter
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