STRUCTURE BASED DRUG DESIGN STUDIES ON HETEROARYL PROPANOIC ACID DERIVATIVES AS PPARΓ AGONISTS

ARUN KUMAR,MANGA RATNAM,ARCHANA KUMARI, AJAY BABU

Abstract


Peroxisome proliferator-activated receptors (PPARs) are a group of nuclear receptor
proteins. Docking studies are based on several factors. Among 15 entries of PPARγ, 2Q6S was
taken for docking analysis, as it showed 418 most favored regions, 35 in additionally allowed
region and none of the residue in disallowed regions. To carry out drug designing, molecules
were considered from the literature in which substitution of R1 position with dihydrofuryl
reported to have high dock score (-14.98 Kcal/mol) than the remaining analogues, with better
geometry and interactions. Hence docking analysis using heteroaryl propionic acid derivatives as
anti-diabetic agents suggest the reproducibility of active molecules being predicted by
computational docking studies using Auto dock software.


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