Synthesis, spectral characterization, DFT calculations, antimicrobial activity and molecular docking of 4-bromo-2-((2-hydroxy-5-methylphenylimino)methyl)phenol and its V(V) complex

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• 作者：Reza Takjoo^a ; ^{rezatakjoo@yahoo.com} ; ; Alireza Akbari^b ; S. Yousef Ebrahimipour^b ; ^c ; Maciej Kubicki^d ; Maryam Mohamadi^e ; Nasrin Mollania^f
• 关键词：ONO Schiff base ; Oxido-vanadium(V) ; DFT calculation ; Crystal structure ; TGA ; Antimicrobial activity ; Molecular docking
• 刊名：Inorganica Chimica Acta
• 出版年：2017
• 出版时间：30 January 2017
• 年：2017
• 卷：455
• 期：part_P1
• 页码：173-182
• 全文大小：1760 K
• 卷排序：455

文摘

4-Bromo-2-(((2-hydroxy-5-methylphenyl)imino)methyl)phenol (H2L) was synthesized. [VO(L)(MeO)(MeOH)] was synthesized. X-ray diffraction, 1H NMR, infrared, UV–Vis spectroscopy, TGA were carried out. DFT and docking calculations have done in details. Antimicrobial activities against some bacteria and fungus were determined.