AN IN-SILICO APPROACH ON ANTIDIABETIC ACTIVITY OF COMPOUNDS IN MOMORDICA CHARANTIA LINN.

The use of natural compounds has become more preferable for reducing the severe complications of diabetes mellitus due to having a minimum cost and the least side effects. The recent study is aimed to diagnose in-vitro α-amylase inhibition activity and the molecular interactions of various phytocompounds like momordicoside A, momordicoside B, momordicoside C, momordicoside D, momor-dicoside E, gallic acid, β-sitosterol, chlorogenic acid, vicine, gentisic acid, epicatechin, apiole, campesterol, cycloeucalenol, lophenol, cisdihydrocarveol, transnerolidol, daucosterol, arachidic acid, lauric acid, palmitic acid, momordenol, obtusifoliol, γ-linoleic acid, steric acid, oleic acid, capric acid and myristic acid present in seeds of Momordica charantia Linn. The molecular docking of the 3D structure of these compounds has been studied with target diabetic protein i.e., α-amylase. 2D interactions were also studied by using Ligand Interaction Diagram. The interaction fingerprinting was generated using the Interaction fingerprint tool available in Maestro (version 12.5) of Schrodinger Suite version 2020-3. The results demonstrated that bioactive compounds i.e. momordicoside A, momordicoside C, momordicoside D and momordicoside B, with a higher binding affinity (>9 Kcal/mol) to diabetic target protein were found. The inhibition activity of α-amylase indicated that the seed extract was found with potent antidiabetic potential. These bioactive compounds can be further isolated to explore their in-vivo study as potent antidiabetic agents.