Molecular Docking and Computational Analysis of Chemical Constituents of Tinospora cordifolia as Potential DPP-4 Inhibitors for Diabetes Management.
Year: 2025
Type: article
Abstract: Tinospora cordifolia, a well-known medicinal plant, has been traditionally used for its wide range of therapeutic properties, including antidiabetic effects. In this study, we investigated the potential of five key chemical constituents of Tinospora cordifolia—10-Hydroxycolumbin, 11-Hydroxymustakone, 20-Beta-Hydroxyecdysone, 8-Hydroxytinosporide, and AMRITOSIDE-A—as inhibitors of dipeptidyl peptidase-4 (DPP-4), a key enzyme in glucose metabolism. Molecular docking simulations were performed using AutoDock VINA, and the results were analyzed for binding affinity, hydrogen bonding, and hydrophobic interactions. Among the compounds tested, 8-Hydroxytinosporide showed the highest docking score (-9.0 kcal/mol) with extensive interactions, followed by 10-Hydroxycolumbin and 20-Beta-Hydroxyecdysone. The interactions of these compounds with DPP-4 suggest their potential as natural DPP-4 inhibitors. Although Amritoside-A and 11-Hydroxymustakone demonstrated weaker binding affinities, further optimization of these compounds could enhance their activity. This study provides valuable insights into the antidiabetic potential of Tinospora cordifolia and supports its exploration as a source of novel DPP-4 inhibitors for diabetes therapy.
Source: Journal of Neonatal Surgery
Authors: Nidhi Bharadwaj, Alok Bihari Das, Reddy Sunil, Sonia Devi, Perli.Kranti Kumar, Santosh Bhadkariya, Saloni Kakkar, Chethan I A
Institutions: JSS College of Pharmacy, Maharshi Dayanand University
Language: English
Subfield: Endocrinology, Diabetes and Metabolism
Field: Medicine
Domain: Health Sciences
Open Access status: diamond
OpenAlex ID: W4409754499