In Silico Drug-Likeness, ADMET, Toxicity Profiling of Clinically Relevant Antidiabetic agents
Abstract
This study aims to evaluate and analyze the pharmacokinetic, bioavailability, and toxicity profiles of selected marketed antidiabetic agents using in silico tools, with the objective of validating their clinical utility, identifying potential areas for optimization, and demonstrating the efficiency of computational approaches in drug evaluation and development. Drugs such as Metformin, Tolbutamide, and Glimepiride were analyzed for gastrointestinal absorption, blood-brain barrier permeability, and interactions with CYP450 enzymes. Most agents demonstrated favourable absorption and compliance with Lipinski’s Rule of Five, indicating suitability for oral use. Toxicity predictions using ProTox 3.0 revealed organ-specific risks: Pioglitazone and Acarbose were associated with potential hepatotoxicity, while Sitagliptin and Teneligliptin showed a likelihood of neurotoxicity. Metformin emerged as the safest drug with minimal respiratory toxicity risk. These findings highlights the value of in silico methods in evaluating pharmacological properties and toxicological risks, offering critical insights for optimizing antidiabetic therapy and aiding physicians in informed prescribing decisions for diabetic patients.
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