In-silico DFT studies and molecular docking evaluation of benzimidazo methoxy quinoline-2-one ligand and its Co, Ni, Cu and Zn complexes as potential inhibitors of Bcl-2, Caspase-3, EGFR, mTOR, and PI3K, cancer-causing proteins

We present here the design, Density Functional Theory (DFT) and Molecular Docking studies of Benzimidazo Methoxy Quinoline-2-one (BMQ) ligand-coordinated transition metal complexes (Co, Ni, Cu, and Zn). Two types of metal coordination, namely imidazole-metal (Im-metal) and quinoline-metal (Q-metal),...

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Bibliografiske detaljer

Principais autores:	K Kaavin, D Naresh, MR Yogeshkumar, M Krishna Prakash, S Janarthanan, M Murali Krishnan, M Malathi
Format:	Artigo
Sprog:	Inglês
Udgivet:	Elsevier 2024-06-01
Serier:	Chemical Physics Impact
Fag:	Benzimidazo methoxy quinoline Metal quinoline complexes DFT FMO Molecular docking and ADMET
Online adgang:	http://www.sciencedirect.com/science/article/pii/S2667022423002578
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