Comparative ADMET Profiling and Pharmacokinetic Assessment of Metformin and Empagliflozin for Drug Repurposing Potential in CKD
Abstract
Chronic kidney disease (CKD) is a progressive and irreversible disorder characterized by gradual decline in renal function, ultimately leading to end-stage renal disease and increased cardiovascular risk. In this study, a comparative in silico ADMET and pharmacokinetic analysis of two widely used antidiabetic drugs, Metformin and Empagliflozin, was performed to evaluate their potential for repurposing in CKD. The chemical structures of the selected compounds were retrieved from the PubChem database in SMILES format and analyzed using the DeepPK platform, a deep learning-based computational tool for predicting absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties. Key pharmacokinetic parameters, including intestinal absorption, blood–brain barrier permeability, plasma protein binding, metabolic interactions with cytochrome P450 enzymes, renal clearance, and half-life, were systematically evaluated. Toxicity endpoints such as AMES mutagenicity, hepatotoxicity, cardiotoxicity, and other organ-specific toxicities were also assessed. The results indicated that all three compounds exhibited favorable oral absorption and systemic availability. Among them, Empagliflozin demonstrated the most balanced pharmacokinetic profile, with superior absorption, efficient distribution, and favorable clearance characteristics, suggesting reduced risk of accumulation in renal impairment. Dapagliflozin showed comparable properties with slightly better safety predictions…
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