In vitro and In silico Validation of Anti-Cobra Venom Activity and Identification of Lead Molecules in Aegle marmelos (L.) Correa

Venomous snakebite is a global serious health issue and in India high rate of mortality is caused by Naja naja (Indian cobra). To evaluate anti-cobra venom activity and identify lead molecules in Aegle marmelos, in vitro and in silico screening was carried out. Leaves, stem and ischolar_main bark of A. marmelos were extracted in ethanol, methanol and hexane and maximum yield was obtained in methanol. All extracts were used for testing in vitro anti-haemolytic, inhibition of anti-acetylcholinesterase and anti-proteolytic activities. The results revealed that ethanol extract of ischolar_main bark has high anti-haemolytic activity, methanol extracts of leaves have the highest inhibitory effect on venom induced anti-acetylcholinesterase activity and ethanol extracts of leaves have maximum anti-proteolytic activity. Docking between 81 phytochemicals from A. marmelos and each of the 14 cobra venom toxic proteins revealed that the plant contains potential molecules for detoxification of all the cobra venom proteins.