Microwave-assisted synthesis, molecular docking and antiproliferative activity of (3/5-aryl-1,2,4-oxadiazole-5/3-yl)(3,4,5-trimethoxyphenyl)methanone oxime derivatives

MedChemComm
2015.0

Abstract

A series of (3/5-aryl-1,2,4-oxadiazole-5/3-yl)(3,4,5-trimethoxyphenyl)methanone oxime derivatives were synthesized via a rapid and facile microwave-assisted synthesis method of building 1,2,4-oxadiazole skeleton using mandelic acid as the starting material. Twenty four target compounds were evaluated for their in vitro antiproliferative activities against three human cancer cell lines (SGC-7901, A549 and HT-1080). Among them, 16b exhibited the most potency against different tumour cell lines, especially A549 cell lines (IC50 = 87 nM). Structure-activity relationship (SAR) studies revealed the aryl substituent at C-5 position on 1,2,4-oxadiazole ring is superior to that at C-3 position. Oxime as a connector can obviously increase the potency, contrary to that in SMART derivatives. Moreover, 16b significantly induced cell cycle arrest in the G2/M phase and caused microtubule destabilization. Molecular docking studies provide a theoretical binding mode of 16b at the colchicine site in the tubulin dimer. Our work laid the foundation for further structure-guided design of novel tubulin polymerization inhibitors.

Knowledge Graph

Similar Paper

Microwave-assisted synthesis, molecular docking and antiproliferative activity of (3/5-aryl-1,2,4-oxadiazole-5/3-yl)(3,4,5-trimethoxyphenyl)methanone oxime derivatives
MedChemComm 2015.0
Synthesis and biological evaluation of (1-aryl-1H-pyrazol-4-yl) (3,4,5-trimethoxyphenyl)methanone derivatives as tubulin inhibitors
European Journal of Medicinal Chemistry 2018.0
Indolyl-α-keto-1,3,4-oxadiazoles: Synthesis, anti-cell proliferation activity, and inhibition of tubulin polymerization
Bioorganic & Medicinal Chemistry Letters 2021.0
Oxadiazole derivatives as a novel class of antimitotic agents: Synthesis, inhibition of tubulin polymerization, and activity in tumor cell lines
Bioorganic & Medicinal Chemistry Letters 2006.0
2-Anilinonicotinyl linked 1,3,4-oxadiazole derivatives: Synthesis, antitumour activity and inhibition of tubulin polymerization
MedChemComm 2011.0
Design, synthesis and bioevaluation of 6-aryl-1-(3,4,5-trimethoxyphenyl)-1H-benzo[d]imidazoles as tubulin polymerization inhibitors
European Journal of Medicinal Chemistry 2021.0
Bioactive heterocycles containing a 3,4,5-trimethoxyphenyl fragment exerting potent antiproliferative activity through microtubule destabilization
European Journal of Medicinal Chemistry 2018.0
Design, synthesis, biological evaluation and molecular modeling of 1,3,4-oxadiazoline analogs of combretastatin-A4 as novel antitubulin agents
Bioorganic & Medicinal Chemistry 2012.0
Synthesis and biological evaluation of N-substituted 3-oxo-1,2,3,4-tetrahydro-quinoxaline-6-carboxylic acid derivatives as tubulin polymerization inhibitors
European Journal of Medicinal Chemistry 2018.0
Novel 2,4,5-trisubstituted oxazole derivatives: Synthesis and antiproliferative activity
European Journal of Medicinal Chemistry 2009.0