PHYSICS & SPACE SCIENCES
BAKU STATE UNIVERSITY JOURNAL of
PHYSICS & SPACE SCIENCES
ISSN: 3006-6123 (ONLINE);     
In Silico ADMET studies of Val-Trp dipeptide
Received: 05-Dec-2025 Accepted: 20-Jan-2026 Published: 16-Mar-2026 Read PDF Download PDF
Sara G. Rahimzade; Gulnara A. Akverdieva
DOI:
Abstract
In this study, the ADMET (absorption, distribution, metabolism, excretion and toxicity) properties of the antihypertensive Val–Trp dipeptide were investigated to assess its potential as a drug candidate. Early prediction of pharmacokinetic and toxicological parameters in the drug discovery process is of great importance in terms of reducing the risk of clinical failure. The ADMET parameters of Val–Trp dipeptide were evaluated using the SwissADME and ADMET-AI platforms. The results showed that the molecule fully complies with the Lipinski’s rules and has favorable physicochemical parameters. High human intestinal absorption and oral bioavailability indicators indicate that Val–Trp dipeptide is promising for oral administration. Metabolic analysis showed minimal CYP450 inhibition and low risk of drug-drug interactions. The calculated excretion pa-rameters confirmed the compound's rapid clearance and a minimal risk of accumulation in the body. Although the compound has low cardiotoxicity, mutagenicity and carcino-genicity risks according to toxicity predictions, a moderate risk of liver toxicity was iden-tified. Overall, the results obtained indicate that the Val–Trp dipeptide is a promising bioactive compound and warrants its involvement in further experimental studies, es-pecially in the antihypertensive direction.

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