Human Target Proteins for Benzo(a)pyrene and Acetaminophen (And Its Metabolites): Insights from Inverse Molecular Docking and Molecular Dynamics Simulations

Human Target Proteins for Benzo(a)pyrene and Acetaminophen (And Its Metabolites): Insights from Inverse Molecular Docking and Molecular Dynamics Simulations

Acetaminophen (APAP) is a widely used analgesic and antipyretic, whereas benzo(a)pyrene (B[a]P) is a carcinogen with significant global health risks due to environmental exposure. While APAP is generally safe at therapeutic doses, co-exposure to B[a]P can exacerbate its toxicity. This study aimed to...

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Bibliographic Details
Main Authors: Yina Montero-Pérez, Nerlis Pájaro-Castro, Nadia Coronado-Posada, Maicol Ahumedo-Monterrosa, Jesus Olivero-Verbel
Format: Article
Language:English
Published: MDPI AG 2024-10-01
Series:Scientia Pharmaceutica
Subjects:
acetaminophen
benzo(a)pyrene
molecular docking
molecular dynamics simulations
Online Access:https://www.mdpi.com/2218-0532/92/4/55
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