Work

Novel rhodanine–thiazole hybrids as potential antidiabetic agents: a structure-based drug design approach

Year: 2024

Type: article

Abstract: signalling pathways identified by cluster analysis and justified by molecular docking studies and MD trajectory analysis to evaluate the binding orientation and stability of the molecules, and the energy profiles of the molecules, both in complex with the protein, were assessed using MM/GBSA and DFT calculations, respectively. Finally, the pharmacokinetic profile was determined using ADMET analysis. Thus, from the above findings, it may demonstrate that rhodanine-thiazole hybrids constitute promising candidates in the pursuit of developing newer oral antidiabetic agents.

Source: RSC Medicinal Chemistry

DOI: 10.1039/d4md00689e

Authors: Shankar Gharge, Shankar G. Alegaon, Shriram D. Ranade, Rohini S. Kavalapure, B. R. Prashantha Kumar

Institutions: KLE Academy of Higher Education and Research, JSS Academy of Higher Education and Research, JSS College of Pharmacy

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Computational Theory and Mathematics

Field: Computer Science

Domain: Physical Sciences

SDG: Good health and well-being

Open Access status: green

Funder: Savitribai Phule Pune University