Integrated Network Pharmacology, ADMET Profiling, and Molecular Docking Investigation of Losartan and Its Active Metabolite Against Angiotensin-Related Target
DOI:
https://doi.org/10.61280/4sa10p81Keywords:
Losartan, Active metabolite, Network Pharmacology, ADMET, Molecular docking, Angiotensin signalingAbstract
Losartan is a widely prescribed angiotensin II receptor blocker whose therapeutic activity is influenced by its active metabolites. Despite extensive clinical use, the broader molecular interaction landscape of losartan and its metabolites remains insufficiently characterized. In this study, an integrated computational strategy combining network pharmacology, in silico ADMET profiling, and molecular docking was employed to investigate the multi-target interaction potential of losartan and its active metabolite. Network pharmacology analysis revealed a signaling-centric target network enriched in angiotensin-related pathways, kinases, and apoptosis-associated proteins. ADMET profiling demonstrated favorable oral drug-likeness alongside identifiable metabolic liabilities, particularly cytochrome P450 inhibition. Molecular docking against the angiotensin-associated protein structure (PDB ID: 4YAY) revealed stable and energetically favorable binding, with blind docking yielding a best affinity of −8.897 kcal/mol. These findings provide mechanistic insight into the polypharmacological behavior of losartan and its metabolite.
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Copyright (c) 2026 Chandramohan K, Nepolean R, Ramesh K
This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License.
