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Megha Mishra

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Review Jul 2026

GRAPH NEURAL NETWORK-GUIDED VIRTUAL SCREENING AND CORE-HOPPING-BASED DESIGN OF NOVEL PPAR-γ MODULATORS

An integrated GNN-guided virtual screening and core-hopping workflow tailored specifically to PPAR-γ modulator design is proposed, built around the goal of identifying selective partial agonists and biased ligands that retain insulin-sensitizing efficacy while minimizing helix-12-driven adverse transcriptional programs.

Deepansha Gandhi, Megha Mishra, Kalyani Bokde et al. · 0 citations