Mechanistic insights into the metabolic pathways of vanillin: unraveling cytochrome P450 interaction mechanisms and implications for food safety

Author:

Kamel Emadeldin M.1ORCID,Maodaa Saleh2,Al-Shaebi Esam M.2,Lamsabhi Al Mokhtar34ORCID

Affiliation:

1. Chemistry Department, Faculty of Science, Beni-Suef University, Beni-Suef 62514, Egypt

2. Department of Zoology, College of Science, King Saud University, PO Box-2455, Riyadh, 11451, Saudi Arabia

3. Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, Campus de Excelencia UAM-CSIC Cantoblanco, 28049 Madrid, Spain

4. Institute for Advanced Research in Chemical Sciences (IAdChem), Universidad Autónoma de Madrid, 28049 Madrid, Spain

Abstract

Vanillin's biotransformation by CYP450 was studied, identifying aldehyde deformylation as energy-efficient pathway. Docking and MD simulations showed stable interactions with CYP2E1 and CYP1A2, suggesting potential food safety implications.

Funder

King Saud University

Ministerio de Ciencia, Innovación y Universidades

Comunidad de Madrid

Publisher

Royal Society of Chemistry (RSC)

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