Experimental and Theoretical Studies for Noncovalent Interactions Analysis of 2-Mercaptopyrimidine Derivative and Their Antimicrobial Activities

IF 0.9 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY
A. Jaiswal, M. Mishra, J. Singh, R. K. Upadhyay, A. K. Pal, R. Kumar
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Abstract

Here, we have synthesized the 2-mercaptopyrimidine derivative for noncovalent interactions and their antimicrobial activities. The non-covalent interactions have been carried out by crystallographic studies, revealed that it showed different interactions such as C–H∙∙∙N, C–H∙∙∙S and S∙∙∙π. Further, these intermolecular interactions have also been quantified by Hirshfeld surface analysis, and NIC calculation. Chimera 1.17.3 software is used for molecular docking studies with (protein ID: 1JIJ) and Discovery Studio is used for analyzing the docking results. The in vitro antifungal activity has been done against two fungal strains (C. albicans and A. niger) and antimicrobial activity has been done against two strains (S. aureus and P. aeruginosa).

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来源期刊
CiteScore
1.40
自引率
22.20%
发文量
252
审稿时长
2-4 weeks
期刊介绍: Russian Journal of General Chemistry is a journal that covers many problems that are of general interest to the whole community of chemists. The journal is the successor to Russia’s first chemical journal, Zhurnal Russkogo Khimicheskogo Obshchestva (Journal of the Russian Chemical Society ) founded in 1869 to cover all aspects of chemistry. Now the journal is focused on the interdisciplinary areas of chemistry (organometallics, organometalloids, organoinorganic complexes, mechanochemistry, nanochemistry, etc.), new achievements and long-term results in the field. The journal publishes reviews, current scientific papers, letters to the editor, and discussion papers.
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