METHOD FOR PREDICTING DIPEPTIDYL PEPTIDASE-4 (DPP-4) INHIBITORS

Abstract

ABSTRACT A method (100) for predicting Dipeptidyl Peptidase-4 (DPP-4) inhibitors. Further, the method comprising developing a pharmacophore model from known inhibitors. Further, the method (100) comprising the steps of performing virtual screening of drug-like compound databases. Further, the method (100) comprising the steps of conducting molecular docking analysis to assess binding affinity. Further, the method (100) comprising the steps of optimizing selected compounds through de novo ligand evolution to enhance inhibitory potential. <>

Specification

Description:FIELD OF THE DISCLOSURE
[0001] This invention generally relates to the field of pharmaceuticals and, in particular, to a method for predicting Dipeptidyl Peptidase-4 (DPP-4) inhibitors that are designed to enhance the efficacy of antidiabetic therapies while minimizing side 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] Dipeptidyl Peptidase-4 (DPP-4) inhibitors have emerged as a significant class of medications for the management of type 2 diabetes mellitus. By inhibiting the DPP-4 enzyme, these drugs , Claims:1. A method (100) for predicting Dipeptidyl Peptidase-4 (DPP-4) inhibitors, the method comprising the steps of:
developing a pharmacophore model from known inhibitors;
performing virtual screening of drug-like compound databases;
conducting molecular docking analysis to assess binding affinity; and
optimizing selected compounds through de novo ligand evolution to enhance inhibitory potential.

2. The method (100) as claimed in claim 1, wherein the pharmacophore model incorporates structural features such as hydrogen bond donors, hydrogen bond acceptors, and hydrophobic regions to enhance the prediction of DPP-4 inhibitors.

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