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Synthesis and physicochemical studies of a series of mixed-ligand transition metal complexes and their molecular docking investigations against Coronavirus main protease
Open Chemistry ( IF 2.3 ) Pub Date : 2020-12-14 , DOI: 10.1515/chem-2020-0190
Ranjan K. Mohapatra 1 , V. P. Saikishore 2 , Mohammad Azam 3 , Susanta K. Biswal 2
Affiliation  

Abstract A novel series of mixed-ligand complexes of the type, [M(L1)(L2)Cl]·2H2O [L1 = 2-(α-methyl salicylidene hydrazine) benzimidazole (primary ligand), L2 = 2,2′-bipyridine (bipy; secondary ligand), M = Co(ii), Ni(ii), Cu(ii) and Zn(ii)], were based on the physicoanalytical studies. The spectroscopic findings revealed tridentate nature of the Schiff base ligand (L1) and its coordination to the metal ions via azomethine nitrogen, ring nitrogen and the deprotonated phenolic oxygen atoms. Furthermore, the synthesized compounds were evaluated for antimicrobial activity against Bacillus subtilis, Escherichia coli and Salmonella typhi microorganisms. In addition, molecular docking studies were carried out against Middle East respiratory syndrome coronavirus (PDB ID: 4ZS6) and severe acute respiratory syndrome coronavirus 2 main protease (PDB ID: 6W63). Graphical abstract

中文翻译:

一系列混合配体过渡金属配合物的合成和理化研究及其对冠状病毒主蛋白酶的分子对接研究

摘要 [M(L1)(L2)Cl]·2H2O [L1 = 2-(α-甲基水杨基肼)苯并咪唑(主要配体), L2 = 2,2'-联吡啶(bipy;二级配体),M = Co(ii)、Ni(ii)、Cu(ii) 和 Zn(ii)],基于物理分析研究。光谱发现揭示了席夫碱配体 (L1) 的三齿性质及其通过偶氮甲碱氮、环氮和去质子化酚氧原子与金属离子的配位。此外,还评估了合成化合物对枯草芽孢杆菌、大肠杆菌和伤寒沙门氏菌的抗菌活性。此外,针对中东呼吸综合征冠状病毒(PDB ID:4ZS6)和严重急性呼吸综合征冠状病毒2主蛋白酶(PDB ID:4ZS6)进行了分子对接研究。6W63)。图形概要
更新日期:2020-12-14
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