DESIGN AND EVALUATION OF SULPHONYL UREA DERIVATIVES AS THERAPEUTIC CANDIDATES FOR TYPE 2 DIABETES MELLITUS BY PERFORMING IN-SILICO STUDIES
AbstractDiabetes mellitus – Type 2 Diabetes Mellitus (T2DM) in particular – is a long-term inherent metabolic disorder that is seriously problematic with regards to global health. Sulfonylureas are a class of widely-used oral hypoglycemic drugs aimed at type 2 diabetes mellitus, targeting ATP-sensitive potassium channels through sulfonylurea receptor 1 (SUR1). This study intends to design and evaluate novel sulfonylurea derivatives via in-silico models in order to enhance both therapy potential and drug-likeness. Molecular docking studies were conducted with AutoDock 4.2.6 against the protein 4EM9 (PPARγ). This is a critical target for T2DM, along with the most established relative glibenclamide for comparison. Docking scores indicated that all derivatives (1a-1d) had strong binding affinities but ligand 1a showed the most affinity with a value of -7.48 kcal/mol. ADME profiling via Swiss ADME gave good pharmacokinetics and bioavailability data, while the suitability of drug likeness got confirmed by Molinspiration and PASS prediction. All this helps in proving the sulfonylurea derivatives-another promising one being 1a-as important drug candidates to treat T2DM.
Article Information
8
2985-2993
882 KB
14
English
IJPSR
M. Sri Ramachandra *, R. Akshaya, V. V. Kavya, D. Reshma, T. Shiva Murthi, P. Shalem Raju and P. Kalyan
Department of Pharmacology, Dr. K. V. Subbareddy Institute of Pharmacy, Dupadu, Kurnool, Andhra Pradesh, India.
chandram143@gmail.com
13 May 2025
23 June 2025
02 July 2025
10.13040/IJPSR.0975-8232.16(11).2985-93
01 November 2025
Download