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  • WJPPS: SEPTEMBER ISSUE PUBLISHED
  • SEPTEMBER 2021 Issue has been successfully launched on 1 September 2021.

Abstract

SYNTHESIS, PHARMACOLOGICAL EVALUATION AND MOLECULAR DOCKING STUDY OF TRIAZOLES CHIFF BASE DERIVATIVES CONTAINING1, 4-BENZODIOXAN MOIETYAS NOVEL JAK INHIBITORS

Wei-Ming Zhang†, Qing Wen†, Jia-Jia Liu, Peng-Cheng Lv* and Hai-Liang Zhu*

ABSTRACT

A series of Triazole Schiffbase derivatives (5a-5t)containing 1,4-benzodioxan moiety have been designed, synthesized, and structurally determined and had their biologic alactivities evaluated as Janus kinases (JAK) inhibitors. All the synthesized compounds have beenreported first. Among the compounds synthesized, compound 5s showed the most potentinhibitory activity (IC50 = 0.91 μM for MCF-7 and IC50 = 1.38μM for JAK), which was comparable to the positive control Ruxolitinib(IC50 = 0.56 μM for MCF-7 and IC50 =0.86μM for JAK). Docking simulation was performed to insert compound 5s into the crystal structure of JAK to determine a probable binding model. Based on the results, compound 5swith potent inhibitory activity against JAK and some cancer cell lines, may be a potentialanticancer agent.

Keywords: Triazole Schiff base derivatives; 1,4-Benzodioxan; the Janus kinases (JAK)inhibitors; Molecular docking; anticancer agent.


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