<?xml version="1.0" encoding="UTF-8"?><Articles><Article><id>939</id><JournalTitle>MOLECULAR AND COMPUTATIONAL APPROACHES IN DESIGNING PAN PPAR AGONISTS FOR METABOLIC DISEASE MANAGEMENT</JournalTitle><Abstract>Metabolic disorders, including type 2 diabetes mellitus, obesity, and dyslipidemia, are complex and multifactorial
conditions requiring multi-target therapeutic strategies for effective management. Peroxisome proliferator-activated
receptors (PPARs)—PPAR-?, PPAR-?, and PPAR-?—play a central role in regulating glucose and lipid metabolism,
inflammation, and energy homeostasis, making them attractive pharmacological targets. The development of pan PPAR
agonists, capable of simultaneously modulating all three isoforms, has emerged as a promising approach to achieve
synergistic therapeutic effects. In recent years, molecular and computational approaches have significantly advanced the
design and optimization of such multi-target agents. Structural elucidation of PPAR ligand-binding domains has enabled a
deeper understanding of receptor–ligand interactions, facilitating rational drug design through structure–activity
relationship (SAR) studies. Computational tools, including molecular docking, molecular dynamics simulations, and
quantitative structure–activity relationship (QSAR) modeling, have accelerated lead identification and optimization by
predicting binding affinity, stability, and selectivity. Additionally, artificial intelligence and machine learning techniques
have enhanced the ability to analyze large chemical datasets, predict pharmacokinetic and toxicity profiles, and identify
novel scaffolds with improved therapeutic potential. Despite these advancements, challenges remain in achieving balanced
receptor activation while minimizing adverse effects associated with PPAR modulation. The integration of computational
design with experimental validation, along with biomarker-driven and personalized therapeutic strategies, offers a
comprehensive framework for the development of safer and more effective pan PPAR agonists. This review highlights the
critical role of molecular and computational methodologies in shaping next-generation drug discovery and underscores
their potential in addressing the growing burden of metabolic diseases</Abstract><Email>poorni.medicare@gmail.com</Email><articletype>Research</articletype><volume>17</volume><issue>2</issue><year>2026</year><keyword>Pan PPAR agonists; Molecular docking; Computational drug design; metabolic disorders</keyword><AUTHORS>Poornima M</AUTHORS><afflication>Associate Professor, Pharmaceuticals chemistry, College of pharmacy Sri Venkateswara University, Redhills, Tamil Nadu India.</afflication></Article></Articles>