The Ability of Chlorophyll to Trap Carcinogen Aflatoxin B<sub>1</sub>: A Theoretical Approach

The Ability of Chlorophyll to Trap Carcinogen Aflatoxin B<sub>1</sub>: A Theoretical Approach

The coordination of one and two aflatoxin B<sub>1</sub> (AFB<sub>1</sub>, a potent carcinogen) molecules with chlorophyll a (<b>chl a</b>) was studied at a theoretical level. Calculations were performed using the M06-2X method in conjunction with the 6-311G(d,p) b...

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Bibliographic Details
Main Authors: Alma Vázquez-Durán, Guillermo Téllez-Isaías, Maricarmen Hernández-Rodríguez, René Miranda Ruvalcaba, Joel Martínez, María Inés Nicolás-Vázquez, Juan Manuel Aceves-Hernández, Abraham Méndez-Albores
Format: Article
Language:English
Published: MDPI AG 2022-05-01
Series:International Journal of Molecular Sciences
Subjects:
chlorophyll a
aflatoxin B<sub>1</sub>
intermolecular interactions
molecular modeling
density functional theory
M06-2X functional
Online Access:https://www.mdpi.com/1422-0067/23/11/6068

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https://www.mdpi.com/1422-0067/23/11/6068

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