Revealing Berberis aristata potential as an anti-viral agent to combat Paramyxoviridae infection

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 antiviral 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.