Assessment of Anti-arthritis Efficacy of Moringa oleifera: In-silico Molecular Docking

Background: The severity of rheumatoid arthritis (RA), a chronic, inflammatory, and systemic autoimmune disease, on a patient's joints varies. Age, gender, genetics, and environmental exposure (tobacco use, exposure to air pollution, and occupational exposure) are risk factors. If left untreated, Felty syndrome can develop into a variety of consequences, including rheumatoid vasculitis, persistent joint damage needing arthroplasty, and Felty syndrome necessitating splenectomy. The objectives of treatment for RA are to alleviate discomfort and prevent/slow additional damage because there is no known cure. 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 and Objective: The goal of the current study was to evaluate M. oleifera leaf anti-arthritic efficacy. Method: In -silico molecular modelling studies for assessment of anti-arthritic potential of M.oleifera leaf was designed taking quercetin and niazirinin as lead molecule found in the ethanolic leaf extract(as per literature survey) against HK-2 protein. A grid-based docking strategy was used to determine the binding using the Auto Dock software. Merck Molecular Force Field was used to build the 2D structures of compounds, convert them to 3D, and then energetically reduce them up to arms gradient of 0.01. (MMFF). Result: The finding of molecular modelling of lead molecule with HK-2 protein showed that both the selected molecules have good affinity towards HK-2 protein but quercetin found to be high binding affinity. The binding energy of quercetin and niazirinin against HK-2 protein was found to be -6.66 & -5.58 Kcalmol-1 respectively.