title: Synthesis, molecular docking and α-glucosidase inhibition of 2-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)-N-arylacetamides.
abstract: A novel series of 2-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)-N-arylacetamides 5a-5q have been synthesized and evaluated for their α-glucosidase inhibitory activity. All newly synthesized compounds exhibited potent α-glucosidase inhibitory activity in the range of IC50=12.46±0.13-72.68±0.20μM, when compared to the standard drug acarbose (IC50=817.38±6.27μM). Among the series, compound 5j (12.46±0.13μM) with strong electron-withdrawing nitro group on the arylacetamide moiety was identified as the most potent inhibitor of α-glucosidase. Molecular docking study was carried out to explore the binding interactions of these compounds with α-glucosidase. Our study identifies a novel series of potent α-glucosidase inhibitors for further investigation.
authors.affiliation: College of Chemistry and Chemical Engineering, Hunan Engineering Laboratory for Analyse and Drugs Development of Ethnomedicine in Wuling Mountains, Jishou University, Jishou 416000, PR China. Electronic address: wanggch123@163.com.
authors.forename: Guangcheng
authors.initials: G
authors.lastname: Wang
authors.affiliation: College of Chemistry and Chemical Engineering, Hunan Engineering Laboratory for Analyse and Drugs Development of Ethnomedicine in Wuling Mountains, Jishou University, Jishou 416000, PR China.
authors.forename: Xin
authors.initials: X
authors.lastname: Li
authors.affiliation: College of Chemistry and Chemical Engineering, Hunan Engineering Laboratory for Analyse and Drugs Development of Ethnomedicine in Wuling Mountains, Jishou University, Jishou 416000, PR China.
authors.forename: Jing
authors.initials: J
authors.lastname: Wang
authors.affiliation: College of Chemistry and Chemical Engineering, Hunan Engineering Laboratory for Analyse and Drugs Development of Ethnomedicine in Wuling Mountains, Jishou University, Jishou 416000, PR China.
authors.forename: Zhenzhen
authors.initials: Z
authors.lastname: Xie
authors.affiliation: College of Chemistry and Chemical Engineering, Hunan Engineering Laboratory for Analyse and Drugs Development of Ethnomedicine in Wuling Mountains, Jishou University, Jishou 416000, PR China.
authors.forename: Luyao
authors.initials: L
authors.lastname: Li
authors.affiliation: College of Chemistry and Chemical Engineering, Hunan Engineering Laboratory for Analyse and Drugs Development of Ethnomedicine in Wuling Mountains, Jishou University, Jishou 416000, PR China.
authors.forename: Ming
authors.initials: M
authors.lastname: Chen
authors.affiliation: College of Chemistry and Chemical Engineering, Hunan Engineering Laboratory for Analyse and Drugs Development of Ethnomedicine in Wuling Mountains, Jishou University, Jishou 416000, PR China.
authors.forename: Shan
authors.initials: S
authors.lastname: Chen
authors.affiliation: College of Chemistry and Chemical Engineering, Hunan Engineering Laboratory for Analyse and Drugs Development of Ethnomedicine in Wuling Mountains, Jishou University, Jishou 416000, PR China.
authors.forename: Yaping
authors.initials: Y
authors.lastname: Peng
mesh_terms: D000081:Acetamides / Q000737:chemistry; D066241:Carbon-13 Magnetic Resonance Spectroscopy; D065089:Glycoside Hydrolase Inhibitors / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D020128:Inhibitory Concentration 50; D013058:Mass Spectrometry; D015394:Molecular Structure; D066244:Proton Magnetic Resonance Spectroscopy; D012441:Saccharomyces cerevisiae / Q000187:drug effects / Q000201:enzymology; D014227:Triazines / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*
chemical_list: D000081:Acetamides; D065089:Glycoside Hydrolase Inhibitors; D014227:Triazines
keywords: 1,2,4-Triazine; Molecular docking; α-Glucosidase inhibitor