Analysis of Various Phytoconstituents Derived from Tinospora cordifolia (Willd.) Miers as Potential α-amylase and α-glucosidase Inhibitors for the Treatment of Type 2 Diabetes Mellitus using Computational Approaches

Abstract

Background: Because of their biological properties, phytochemicals have been essential to nutraceutical treatment for diabetes mellitus. Various phytoconstituents derived from Tinospora are reported to have immunomodulatory, anti-arthritis, antioxidant, anti-allergic cardio, and oxidatively- induced stress protection. Objectives: This study aimed to identify and characterize the key phytoconstituents of Tinospora cordifolia for their anti-inhibitory effects against α-amylase and α-glucosidase enzymes in controlling carbohydrate metabolism and potential drug molecule against Type II Diabetes Mellitus Methods: Based upon the literature survey, various compounds of T. cardiofolia were deduced from Pubchem and protein structure from the protein data bank. Virtual screening used Pyrx with α- amylase and α- glucosidase. Compounds with the highest binding affinity score and 3-d interaction analysis were used to identify the potential inhibitors among various compounds. Pharmacokinetic studies for drug likeliness and toxicity properties were characterized using SWISS ADME and ADMETSAR webservers Results: Based on their docking scores and binding affinities,, the biologically active compounds from T. cardifolia viz were observed. Isocolumbin, cordifoliside B, β-sitosterol, ecdysone, palmitoside E, Columbin and cordifoliside C interact with the active site amino acids of both the enzymes. Drug-likeness and pharmacophore studies showed that potential anti α- amylase and α- glucosidase inhibitors Conclusion: The compounds' efficacy of the screened phytoconstituents from T.cardifolia as prospective therapeutic candidates can be due to their great affinity for the enzymes' catalytic region, which can cause a conformation change and result in a reduction in enzyme activity. This study's findings might indicate a way to create a new class of drugs.