Molecular docking, drug-likeness and DFT study of some modified tetrahydrocurcumins as potential anticancer agents

• Main Authors: Ahmed Mahal (Author), Marwan Al-Janabi (Author), Volkan Eyüpoğlu (Author), Anas Alkhouri (Author), Samir Chtita (Author), Mustafa M. Kadhim (Author), Ahmad J. Obaidullah (Author), Jawaher M. Alotaibi (Author), Xiaoyi Wei (Author), Mohammad Rizki Fadhil Pratama (Author)
• Format: Book
• Published: Elsevier, 2024-01-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

The present study utilized molecular docking and density functional theory (DFT) approaches, and ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties to investigate the binding interactions, reactivity, stability, and drug-likeness of curcumin (1), tetrahydrocurcumin (2),...