METHOD FOR IDENTIFYING POTENT PPAR-GAMMA AGONISTS FROM 5-BENZYLTHIAZOLIDINE-2,4-DIONE DERIVATIVES

Abstract

ABSTRACT A method (100) for identifying potent PPAR-gamma agonists from 5-benzylthiazolidine-2,4-dione derivatives. performing virtual screening of a library of 5-benzylthiazolidine-2,4-dione derivatives using a computational database to identify potential ligands for the PPAR-gamma receptor Further, the method (100) comprising the steps of conducting molecular docking studies of the identified derivatives to assess their binding affinities and interactions with the active site of the PPAR-gamma receptor. Further, the method (100) comprising the steps of selecting lead compounds based on their binding affinities and pharmacokinetic properties determined through ADMET analysis. Further, the method (100) comprising the steps of optionally confirming the agonistic activity of the identified lead compounds through further biological assays on the PPAR-gamma receptor.

Specification

Description:FIELD OF THE DISCLOSURE
[0001] This invention generally relates to the field of pharmaceutical chemistry and, in particular, to a method for identifying potent PPAR-gamma agonists derived from 5-benzylthiazolidine-2,4-dione derivatives, aimed at enhancing the efficacy and safety of therapeutic agents for metabolic disorders while minimizing adverse effects.
BACKGROUND
[0002] The subject matter discussed in the background section should not be assumed to be prior art merely as a result of its mention in the background section. Similarly, a problem mentioned in the background section or associated with the subject matter of the background section should not be assumed to have been previously recognized in the prior art. The subject matter in the background section merely represents different approaches, which in and of themselves may also correspond to implementations of the claimed technology.
[0003] The increasing prevalence of metabolic disorders, such as type 2 diabetes and obesity, has led to a growing , Claims:1. A method (100) for identifying potent PPAR-gamma agonists from 5-benzylthiazolidine-2,4-dione derivatives, the method comprising the steps of:
performing virtual screening of a library of 5-benzylthiazolidine-2,4-dione derivatives using a computational database to identify potential ligands for the PPAR-gamma receptor;
conducting molecular docking studies of the identified derivatives to assess their binding affinities and interactions with the active site of the PPAR-gamma receptor;
selecting lead compounds based on their binding affinities and pharmacokinetic properties determined through ADMET analysis; and
optionally confirming the agonistic activity of the identified lead compounds through further biological assays on the PPAR-gamma receptor.

2. The method (100) as claimed in claim 1, wherein the virtual screening step comprises searching a chemical database for commercially available 5-benzylthiazolidine-2,4-dione derivatives.

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