Synthesis and Molecular Docking Study of Pyrazine-2-carboxylic acid Derivatives. Issue 1 (May 2020)

• Record Type: Journal Article
• Authors: Zulqurnain, Muhammad; Ghulam Fahmi, M. Riza; Fadlan, Arif; Santoso, Mardi
• Is Part Of: IOP conference series. Volume 833:Issue 1(2020)
• Publication Date: 2020-05
• Subjects: Materials science -- Periodicals; 620.1105
• DOI: 10.1088/1757-899X/833/1/012057
• Languages: English
• ISSNs: 1757-8981

Abstract

Abstract: The pyrazine-2-carboxylic acid derivatives 1a-c with aromatic, cyclic, and aliphatic side chain were successfully synthesized. The structures of derivatives were confirmed by spectroscopic methods (FTIR, NMR, HRMS). The molecular docking was performed to determine the possible binding interaction between 1a-c with Mycobacterium tuberculosis InhA protein. The derivative 1c showed the lowest rerank score (-86.4047 kcal mol −1 ) and it might correspond to the lowest experimental MIC value.