title: Microwave assisted synthesis, antifungal activity, DFT and SAR study of 1,2,4-triazolo[4,3-a]pyridine derivatives containing hydrazone moieties.
abstract: BACKGROUND
  The increasing prevalence of multi-drug resistant fungal infections has encouraged the search for new antifungal agents. Hydrazone derivatives always exhibited diversity activities, including antifungal, anti-inflammatory, anti-oxidation, anti-cancer activity. Regarding the heterocyclic moiety, 1,2,4-triazolo[4,3-a]pyridine derivatives also display broad activities, such as antifungal activity, anticonvulsant activity, herbicidal activity, antimicrobial activity and anticancer activity.
  
  
  RESULTS
  A series of novel 1,2,4-triazolo[4,3-a]pyridine derivatives containing hydrazone moiety were designed and synthesized from 2,3-dichloropyridine, hydrazine hydrate by multi-step reactions under microwave irradiation condition, and their structures were characterized by FT IR, (1)H NMR, (13)C NMR, (19)F NMR, MS and elemental analysis. The antifungal activities of title compounds were determined. The results indicated that some of the title compounds exhibited good antifungal activity. Furthermore, DFT calculation was carried out for studying the structure-activity relationship (SAR).
  
  
  CONCLUSIONS
  A practical synthetic route to obtain 1,2,4-triazolo[4,3-a]pyridine derivatives is presented. This study suggests that the 1,2,4-triazolo[4,3-a]pyridine derivatives exhibited good antifungal activity.
authors: Department of Environmental Engineering, China Jiliang University, Hangzhou, 310018 Zhejiang China.
authors: Jin-Xia
authors: JX
authors: Mu
authors: Institute of Vegetables and Flowers, Chinese Academy of Agricultural Sciences, Beijing, 100014 China.
authors: Yan-Xia
authors: YX
authors: Shi
authors: College of Chemical Engineering, Zhejiang University of Technology, Hangzhou, 310014 China.
authors: Hong-Ke
authors: HK
authors: Wu
authors: College of Chemical Engineering, Zhejiang University of Technology, Hangzhou, 310014 China.
authors: Zhao-Hui
authors: ZH
authors: Sun
authors: College of Chemical Engineering, Zhejiang University of Technology, Hangzhou, 310014 China.
authors: Ming-Yan
authors: MY
authors: Yang
authors: College of Chemical Engineering, Zhejiang University of Technology, Hangzhou, 310014 China.
authors: Xing-Hai
authors: XH
authors: Liu
authors: Institute of Vegetables and Flowers, Chinese Academy of Agricultural Sciences, Beijing, 100014 China.
authors: Bao-Ju
authors: BJ
authors: Li
keywords: 1,2,4-Triazolo[4,3-a]pyridine; Antifungal activity; DFT; Hydrazone; Microwave assisted synthesis