Molecular Docking Analysis of 4-Iminoflavan Derivative as an Anti-Inflammatory Agent Targeting Mitogen-Activated Protein Kinase 1 (MAPK 1)

Authors

Thinhinane Hamache
Bioactive Molecules and Chiral Separation Laboratory, Faculty of exact sciences, Tahri Mohammed University, Istiklal street PO 417 Bechar, 08000, Algeria
Nasser Belboukhari
Bioactive Molecules and Chiral Separation Laboratory, Faculty of exact sciences, Tahri Mohammed University, Istiklal street PO 417 Bechar, 08000, Algeria
Khaled Sekkoum
Bioactive Molecules and Chiral Separation Laboratory, Faculty of exact sciences, Tahri Mohammed University, Istiklal street PO 417 Bechar, 08000, Algeria
Zaid Mohammed El Amin
Bioactive Molecules and Chiral Separation Laboratory, Faculty of exact sciences, Tahri Mohammed University, Istiklal street PO 417 Bechar, 08000, Algeria

Synopsis

The current study focuses on the molecular docking of 4-iminoflavan derivatives obtained through a condensation reaction with a primary amine as an anti-inflammatory drug that targets Mitogen-activated protein kinase 1 (MAPK1), which is an important signaling molecule that regulates cell survival, differentiation, and proliferation. The molecular docking program used in this investigation was Moe software. The result showed the binding energy of N-(hydroxyl-Phenyl) 4-iminoflavan to MAPK1 was found to be -5.5 kcal/mol, indicating a strong binding affinity.

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Published
December 4, 2024