Modulating CYP450 Isozymes to Prevent DB[a,l]P-Induced Mammary Cancer: DE - Softcover

Ahmad Khan, Mohammad Kalim; Akhtar, Salman; Azeem, Mohd Umar

Softcover

ISBN 10: 6208417155 ISBN 13: 9786208417154

Verlag: LAP LAMBERT Academic Publishing, 2024

Inhaltsangabe

Carcinogens transform into electrophilic metabolites, bind to DNA, and cause cancer via metabolic activation, detoxification, angiogenesis, and metastasis. CYP isozymes are therapeutic targets in DBP-induced mammary cancer. LBVS, molecular docking, MD simulations, and in vitro studies have focused on CYP1A1, 1A2, and 1B1. LBVS identified hits, refined using Lipinski's RO5 and ADMET filters, and docked them using AutoDock4. CHEMBL1, CHEMBL2, and CHEMBL3 showed superior binding affinities to ANF. The stability was confirmed via MD simulations. ADMET filtering yielded nontoxic hits, with ANA8430692 and ANA7923580 exhibiting optimal stability. Molecular dynamics and enzyme inhibition assays validated their potential as CYP inhibitors. Designed analogs ANA6917483, ANA8430692, and ANA6451816 displayed strong binding and interaction patterns, suggesting anticancer potential. This study enhances our understanding of the DBP-induced prevention of mammary cancer.

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Über die Autorin bzw. den Autor

Dr. Mohammad Kalim Ahmad Khan, a Professor of Bioinformatics in the Department of Bioengineering at Integral University, Lucknow, India, has 16+ years of experience, 85+ publications, and has supervised six PhD scholars. His research focuses on DB[a,l]P-induced carcinogenesis, lifestyle diseases, and computational design of drug candidates.

Details zur Ausgabe

• Verlag: LAP LAMBERT Academic Publishing
• Erscheinungsdatum: 2024
• Sprache: Englisch
• ISBN 10: 6208417155
• ISBN 13: 9786208417154
• Einband: Taschenbuch
• Anzahl der Seiten: 112
• Kontakt zum Hersteller: Nicht verfügbar
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