Seven metal-based bi-dentate NO azocoumarine complexes: Synthesis, physicochemical properties, DFT calculations, drug-likeness, in vitro antimicrobial screening and molecular docking analysis

Aly Abdou, Hassan M. Mostafa,Abdel-Mawgoud M. Abdel-Mawgoud

Inorganica Chimica Acta（2022）

引用 33|浏览0

暂无评分

摘要

•New Cr(III), Mn(II), Fe(III), Ni(II), Cu(II), and Zn(II) complexes were synthesized and characterized.•3D geometry was optimized using DFT approach.•In vitro antimicrobial activity was screened.•Molecular docking against 1HNJ protein was explored.•Drug-Likeness properties were investigated based on Lipinski rule.

查看译文

关键词

Azocoumarin,metal complexes,DFT,Molecular Docking,Antibacterial,Antifungal,drug-likeness

AI 理解论文

溯源树

样例

生成溯源树，研究论文发展脉络

Chat Paper

正在生成论文摘要