Synthesis, X-ray, characterization and HSA and energy framework analysis of novel pyridine-hydrazone based ligand and its Co(II) complex biological activity prediction and experimental antibacterial properties

MOLECULAR CRYSTALS AND LIQUID CRYSTALS(2022)

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摘要
The ligand (HL) and its complex [Co(HL)Cl-2(H2O)] were synthesized and were elucidated using structural and spectroscopic techniques. The crystal structures of HL are consolidated by C-H center dot center dot center dot Cl and C-H center dot center dot center dot N hydrogen bonds. 2D Fingerprint plots and Hirshfeld Surface analysis have been used to explore intermolecular interactions. The HL acts as a tri-dentate via NNN donors toward the metal ion inside octahedral geometry with Co(II). S. Typhimurium and B. subtilis were the most sensitive microorganisms to the synthesized compounds. The complex exhibited better biological and antibacterial activity than the HL. Finally, Co(II) compound has been found to have great potential as new metallodrugs.
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关键词
Cobalt complex, hydrazone, energy framework, drug-likeness
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