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Synthesis, biological evaluation and molecular docking studies of 1,3,4-oxadiazole derivatives as potential immunosuppressive agents.

Abstract：

:A series of 1,3,4-oxadiazole derivatives derived from 4-methoxysalicylic acid or 4-methylsalicylic acid (6a-6z) have been first synthesized for their potential immunosuppressive activity. Among them, compound 6z displayed the most potent biological activity against lymph node cells (inhibition=38.76% for lymph node cells and IC(50)=0.31 μM for PI3Kγ). The preliminary mechanism of compound 6z inhibition effects was also detected by flow cytometry (FCM) and the compound exerted immunosuppressive activity via inducing the apoptosis of activated lymph node cells in a dose dependent manner. Docking simulation was performed to position compound 6z into the PI3Kγ structure active site to determine the probable binding model.

journal_name

Bioorg Med Chem

journal_title

Bioorganic & medicinal chemistry

authors

Zhang ZM,Zhang XW,Zhao ZZ,Yan R,Xu R,Gong HB,Zhu HL

doi

10.1016/j.bmc.2012.03.064

subject

Has Abstract

pub_date

2012-05-15 00:00:00

pages

3359-67

issue

10

eissn

0968-0896

issn

1464-3391

pii

S0968-0896(12)00264-7

journal_volume

20

pub_type

杂志文章

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