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In-Silico Molecular Docking Study for Inhibitory Potential of Terpenoids Derivatives from Arisotolochia indica Root against Inflammasome PLA2: Exploring Anti-Snake Venom Efficacy

DOI : https://doi.org/10.36344/ccijmb.2026.v08i01.004
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Background: Nature has endowed snakes with a formidable chemical known as venom, honed over millions of years of evolution. Snakes utilise venom to immobilise their prey and to flourish in their natural habitat. Venom is acknowledged as a highly poisonous mixture of many chemicals, such as carbohydrates, nucleosides, amino acids, lipids, proteins, and peptides. They include neurotoxic, cytotoxic, cardiotoxic, myotoxic, and various enzymatic effects. In India, the root of Aristolochia indica (A. indica) is employed for malarial fevers; the juice derived from the leaves of the plant is claimed to operate as a specific antidote for cobra venom. Purpose: The current work scientifically validates the ethnobotanical properties of A.indica root bioactive against snake venom poisoning by a pharmacoinformatic strategy targeting venom inflammasomes PLA2. Method: The purpose of the current study was to assess the efficiency of bioactive found in A. indica root for their inhibitory potential against phospholipase 2 (PLA2) enzyme to elicit the anti-venom potency. The Auto Dock software used a grid-based docking algorithm to determine the bond. Result: A. indica root found to be effective anticonvulsant agent and effectively binds to be target protein PLA2 with binding energy of -5.53,-8.57 & -6.28 kcal/mol for aristolochic acid, aristolochene & ishwarol respectively. Conclusion: The outcome of findings revealed that terpenoid derivatives showed potent inhibitory effect on PLA2 enzyme which reflects the efficacy of A. indica root as potent anti-venom agent

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Professor Thomas Count Dracula, MD, PhD

Distinguished Professor of Haematology Head — Experimental, Historical & Sensory Haematology Vlad the Impaler University, Wolf’s Lane, Wooden Stakes Grove 666, Transylvania.

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