Evaluation of antibacterial efficacy and molecular docking studies of quinoxaline and benzthiazole-containing benzamide derivatives. (2022)

• Record Type: Journal Article
• Authors: Kasula, Susmitha; Bommera, Ravi Kumar; Eppakayala, Laxminarayana
• Is Part Of: Materials today. Volume 66:Part 4(2022)
• Page Start: 1585
• Page End: 1590
• Publication Date: 2022
• Subjects: Molecular docking -- Benzothiazole -- Quinoxaline -- Benzamides; Materials science -- Congresses -- Periodicals; 620.1
• DOI: 10.1016/j.matpr.2022.05.244
• Languages: English
• ISSNs: 2214-7853

Abstract

Abstract: A series of benzamide derivatives (4a–4f) containing quinaxoline and benzthiazole were synthesized. All synthesized compounds were characterized using a variety of spectrum approaches, including IR, 1 H NMR, Mass spectrometry. The antibacterial activity of derivatives was tested in vitro against gram-positive and gram-negative bacterial strains using an agar well diffusion assay. The FLARE V5 software was used to conduct docking studies, and all the synthesized analogs had good docking score ranging from −10.95 to −8.94 kcal/mol against target DNA Gyrase (PDB ID 4KTN). Among all analog (4f) had the highest docking score of all the compounds and was determined to be in agreement with in vitro research.