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In silico Multi-Target Pharmacological Profiling of Itraconazole: Molecular Docking, Binding Free Energy Estimation, and Systems Biology Insights into Potential Anti-Cancer Mechanisms

2026-05-04

Abstract excerpt

<title>Abstract</title> <p> Background Itraconazole is an approved triazole antifungal agent with documented pre-clinical anti-cancer activity. The full spectrum of human protein targets through which it may exert oncological effects has not been systematically characterized. This study presents a multi-tier in silico framework to map the pharmacological target landscape of itraconazole and investigate its pote...

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Literature Corpus work
ccd24595-4351-5f17-a849-b2efc73a245b
DOI
10.21203/rs.3.rs-9577042/v1
Open publication

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In silico Multi-Target Pharmacological Profiling of Itraconazole: Molecular Docking, Binding Free Energy Estimation, and Systems Biology Insights into Potential Anti-Cancer MechanismsDOI 10.21203/rs.3.rs-9577042/v1
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