Synthesis and molecular docking study of 6-chloropyrazine-2-carboxylic acid derivatives. Issue 1 (May 2020)

• Record Type: Journal Article
• Authors: Aijijiyah, Nur Pasca; Ghulam Fahmi, Muhammad Riza; Fatmawati, Sri; 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/833/1/012002
• Languages: English
• ISSNs: 1757-8981

Abstract

Abstract: One of the most lethal and frequent infectious diseases worldwide is tuberculosis. Multi and extensively tuberculosis drug-resistant constitutes a serious problem and emphasizes the need for novel anti-tubercular agents. Accordingly, various pyrazine-2-carboxamides were synthesized and evaluated as potential anti-tuberculosis agents. The synthesis involved reaction of pyrazinoic acids with thionyl chloride to yield acyl chlorides which on treatment with various anilines gave various pyrazine-2-carboxamides. Based on structure-activity relationships extracted from previously published, this paper reported the synthesis and molecular docking study of 6-chloropyrazine-2-carboxamides. Synthesis involved reaction of 6-chloropyrazinoic acid with 2, 4, 6-trichlorobenzoyl chloride instead of thionyl chloride which listed under the Chemical Weapons Convention as it may use for the production of chemical weapons. Structure identification of 6-chloropyrazine-2-carboxamides was carried out by 1 H NMR, 13 C NMR, FTIR, and high-resolution mass spectroscopy. It is predicted that 6-chloro- N -octylpyrazine-2-carboxamide has better bioactivity against Mycobacterium tuberculosis, based on molecular docking study.