从2-羟基和2-甲氧基萘醛衍生的希夫碱:硅对接、DNA切割、抗菌活性和SAR的探索

Devika Bhai Rajamma, Girija Cr, R. Ramakrishna
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引用次数: 2

摘要

研究了5种结构相关的席夫碱的抑菌活性、分子对接活性和DNA裂解活性,并对其构效关系进行了研究。采用孔扩散法研究了这些化合物对革兰氏阴性菌和革兰氏阳性菌的抑菌活性,发现携带两个羟基官能团的1-[(E)-(4-羟基苯基)亚甲基]萘-2-醇分子是最具活性的抑菌剂之一。将该分子的抑菌活性与前期的研究成果进行了比较,认为在这些希夫碱类似物的核心结构中引入OH基团可以提高其抑菌活性。研究了与p55blk激酶蛋白的对接相互作用。化合物1-[(E)-(3-硝基苯基)亚甲基]萘-2-醇具有良好的对接能力,具有24种基于统计电位的对接能力,化合物(E)-(2-甲氧基-1-萘基)- n -(3-硝基苯基)甲亚胺具有显著的基于氢键的对接能力。用Lambda DNA凝胶电泳法研究了所有席夫碱基的DNA切割效率。
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Schiff Bases Derived from 2-Hydroxy and 2-Methoxy Naphthaldehyde:Exploration of In Silico Docking, DNA Cleavage, Antibacterial Activitiesand SAR
Antibacterial activities, molecular docking and DNA cleavage activities of five structurally related Schiff bases were performed and their structure activity relationship was studied. Antibacterial activities of these compounds against gram-negative and gram-positive bacteria were evaluated by using well diffusion method and the molecule 1-[(E)-(4- hydroxyphenyl)iminomethyl]naphthalene-2-ol which carries two hydroxyl functional groups was observed as one of the most dynamic antibacterial agents. The antibacterial activities of this molecule was compared with an earlier research work and concluded that the antimicrobial activities of these Schiff base analogues can be improved by introducing OH groups in their core structure. Docking interactions were investigated against p55blk kinase protein. The compound 1-[(E)-(3-nitrophenyl)iminomethyl]naphthalene-2-ol exhibited good docking proficiency with 24 interactions based on statistical potentials and the compound (E)-1-(2-methoxy-1-naphthyl)-N-(3-nitro phenyl)methanimine showed significant docking interaction based on hydrogen bonding. DNA cleavage efficiency of all the Schiff bases was investigated using Lambda DNA by gel electrophoresis method.
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