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KMID : 1200820200200040599
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Oriental Pharmacy and Experimental Medicine
2020 Volume.20 No. 4 p.599 ~ p.608
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Beneficial effect of phospholipase A2 group IIA inhibitors from Acacia suma in obesity: an in silico and in vitro study
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Kanbarkar Nikita
Mishra Sanjay
Khanal Pukar
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Abstract
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Acacia suma Roxb. (Fabaceae) is Ayurvedic medicine distributed in Karnataka, Bengal and Bihar region. Phytoconstituents of A. suma were retrieved from ChEIB databases and queried for phospholipase A2 group IIA inhibitors. The present study is an effort to find out a novel therapeutic solution for the management of obesity disorders. Out of 29 reported compounds three were identified in modulating phospholipase A2 group IIA inhibitor their drug likeness score andprobable gene expression was identified. Docking study was performed using autodock4.0 to predict binding affinity of phytoconstituents with phospholipase A2 group IIA inhibitor and compared with clinically proven drug ‘Orlistat’ as lipase inhibitor. The respected pathway to show networking between phytochemicals and target were analyse by kyoto encyclopedia of genes and genomes pathway analysis for regulated genes. Further, in silico findings were validated for hydroalcoholic extract of A. suma by in vitro lipase inhibition assay. Molecular docking result revealed the presence of three flavonoid compounds for lipase inhibition activity namely: (1) (5S,7R,8R,9R,10S)-(?)-7,8?seco-7,8?oxacassa-13,15-diene-7,17-diol (2) Fisetinidol-(4α,6)-gallocatechin and (3) Quercetin4′-O-α-L-rhamnopyranosyl-3-O-β-D-allopyranoside. However, Quercetin4′-O-α-L-rhamnopyranosyl-3-O-β-D-allopyranoside was predicted to possess the highest docking score i.e. ? 7.6 kcal/mol with phospholipase A2 group IIA. The in vitro findings revealed significant anti-lipase activity with IC50 value ? 46.07 μg/ml. Hence, the in silico and in vitro approaches has presented strong binding affinity and significant lipase inhibition activity respectively which supports anti-obesity potential of heart wood hydroalcoholic extract of A. suma.
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KEYWORD
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Acacia suma, Catechin, Lipase inhibition, In silico study, Obesity
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