Evaluation of Interaction Between DEHP Metabolites with Different Cytochromes P450 Families Through Molecular Docking

This research contributes to the development of therapeutic agents based on the analysis of cytochrome families p450 against the DEHP plasticizer molecule and its metabolite MEHP. To characterize the molecular interaction, we computationally implemented molecular docking as a binding prediction technique, considering measurement and selection parameters to evaluate the inhibition in the enzymatic activity. Clinical Relevance—Evaluating the interaction of different P450 cytochromes against DEHP and its metabolites in the organism allows progress in the development of specific therapeutic agents against inhibition in enzymatic activity