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In Silico Evaluation of 5-Arylidine Glitazone Esters as Potential Antidiabetic Agents: ADMET, Molecular Docking, Dynamics, MMGBSA and DFT Studies.

Chem Biodivers · 2026 · PMC13291925 · PMID 42339745

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a clear trendno p-value reported
Inspection of Figure 7a reveals a clear trend in which ligand efficiency increases as the SGLT2 docking scores become more negative, with an R 2 value of 0.6629, indicating a moderate to strong correlation between improved binding affinity and ligand efficiency.

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