In-Silico Validation of Niazinin-A Against Proinflammatory Mediator: Anti-Proliferative Potential

Abstract

Background: Cancer is one of the most dreaded human diseases, that has become an ever-increasing health problem and is a prime cause of death globally. Munga, also known as Moringa oleifera Lam., is one of the most significant plants grown extensively in India. This plant, Moringa oleifera Lam, is used extensively as a dietary supplement and has valuable pharmacological properties including anti-asthmatic, anti-diabetic, hepatoprotective, anti-inflammatory, anti-cancer, antimicrobial, anti-oxidant, cardiovascular, anti-ulcer, CNS activity, anti-allergic, wound healing, analgesic, and antipyretic action. This plant has great therapeutic properties in every area. It is a good source of milk protein, vitamin A, and vitamin C. Alkaloids, protein, quinine, saponins, flavonoids, tannin, steroids, glycosides, fixed oil, and lipids are only a few examples of the several active phytoconstituents that are present. Aim: The current work sought to elucidate the molecular basis for Niazinin A antiproliferative activity against the VEGF-1 & AURKA, which functions as a proinflammatory factor in proliferation. Method: A molecular docking method was employed in the current work to look for VEGFR-1 & AURKA protein inhibitors. The binding was determined by the Auto Dock software utilising a grid-based docking method. Results: The molecular docking result revealed that Niazinin A showed encouraging docking score. The docking score found to be -7& -6.11 for VEGF-1 & AURKA kcal mol–1 respectively. Conclusion: The interaction of ligand hits to targeted site and docking score finding it can be predicted that Niazinin A found in the plants Moringa exhibited good inhibitor of VEGF-1 & AURKA protein.