Unveiling the antiophidian potential of epicatechin and isoquercetin from Tapinanthus globiferus growing on Acacia nilotica: An in silico and in vitro studies

Abstract

Traditional medicine offers potential therapeutic options to myriad form of diseases that appear incurable. This study investigated the inhibitory potential of Epicatechin and Isoquercetin isolated from Tapinanthus globiferus growing on Acacia nilotica against Naja nigricollis phospholipase A₂ (PLA₂) enzyme. In vitro PLA₂ activity was assayed using an acidimetric method. In silico analysis of docking scores and pharmacokinetic properties were performed using established softwares (Autodock Vina, SwissADME, ProTox-II). Both Epicatechin and Isoquercetin exhibited concentration-dependent inhibition of PLA₂ enzyme activity, with Epicatechin demonstrating a more potent effect (inhibition range: 34.40 – 63.70 %) compared to Isoquercetin (25.42 – 57.18 %) at tested concentrations. In silico docking scores indicated favorable binding affinities for both compounds (-8.0 and −8.1 kcal/mol for Epicatechin and Isoquercetin, respectively). Toxicity studies predicted a relatively low hazard profile for both compounds (LD₅₀ > 5000 mg/kg). ADME/Tox analysis suggested better lead-like properties for Epicatechin. In conclusion, Epicatechin and Isoquercetin isolated from T. globiferus exhibited promising anti-snake venom activity against N. nigricollis PLA₂ enzyme in both in vitro and in silico analyses. Epicatechin demonstrated superior enzyme inhibitory activity and favorable pharmacokinetic properties, warranting further investigation for potential development as a snakebite therapeutic.