Synthesis, Theoretical Studies of Interaction Energies of Tetraphenyl Diphosphene with Selected Transition Metals (0) Oxidation Cr(0) and Mo(0) and Their Biology Application

Abstract

A new series of complexes was synthesized via microwave technology in green chemistry, including [Cr(CO)2(dppe)(bipy)]:(S1), [Cr(CO)2(dppe)(2-Apy)]:(S2), [Cr(CO)2(dppe)(8-HQ)]:(S3), [Mo(CO)2(dppe)(8-HQ)]:(S4), [Mo(CO)2(dppe)(bipy)]:(S5), and [Mo(CO)2(dppe)(2-Apy)]:(S6). They were prepared by reacting [M(CO)6] (M = Cr or Mo) with primary ligand like 1,2 bis-(diphenylphosphino)ethane, and secondary ligands such as 2,2' bipyridine, 2-amino pyridine, and 8-hydroxyquinoline. The compounds were characterized using UV-Vis, FT-IR, MS, 1HNMR, and CHN analyses. These complexes exhibited potential biological activity against human lung cancer H-1299 cells, with (S5) showing the strongest effect, IC50 at 12.5 Microg/ml. Molecular docking revealed that (S5) had the lowest binding energy (-7.4716) with lung cancer at site (PDB ID: 1M17), indicating high stability and promising therapeutic potential.