In Silico Anti-Inflammatory Activity Evaluation of Some Bioactive Compound from Pterocarpus santalinus L.f. through Molecular Docking Approach

Abstract

Pterocarpus santalinus (Red Sanders) a highly impressive indigenous deciduous threatened tree species renowned for its characteristic timber of exquisite colour reported to have enormous biological activities and potential health benefits along with its extensive use in furniture. Considering its various health benefits, the present study focused on evaluation of phytochemical constituents of the leaf, bark and heartwood of P. santalinus responsible for its anti-inflammatory activity. Phytocompounds were quantified high in heartwood samples collected from natural forests than plantations. Alkaloids and terpenoids were present in both acetone and methanol extracts of leaf, bark and heartwood samples accounts for potential medicinal uses especially its anti-inflammatory activity. GC/ MS/MS analysis revealed that the compounds elicited at various retention times found to have various biological properties such as antimicrobial, antioxidant, anti-inflammatory, anti-diabetic and anti-malarial activities. Molecular docking study was aimed to predict the affinity of the compounds namely Viminalol, Protopine, Lupanol, Lup-20(29)-en-3-one and Lup-20(29)-en-3-ol, (3.beta.)- (CAS) of red sanders to bind with anti-inflammatory targeted proteins viz. COX-1, COX-2, NR3C1, S100s, IL1F5 and SPINK5 thereby reduced their functionality towards inflammation. The results proved that red sanders found to have the potential as an anti-inflammatory agent and it can be used in the development of health care products.