Enhanced antitumor potential induced by chloroacetate-loaded benzophenones acting as fused tubulin-pyruvate dehydrogenase kinase 1 (PDHK1) ligands

[Display omitted] •34 synthesized benzo(thio)phenones.•Unprecedented dual tubulin/PDHK1 inhibitors identified.•Molecular docking on studied targets.•Cell cycle analysis on DA1-3b cells.•High cytotoxicity effect on NCI-60 cancer cell line panel (GI50 

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Bibliographic Details
Published in:Bioorganic chemistry 2020-03, Vol.96, p.103643-103643, Article 103643
Main Authors: Ghinet, Alina, Thuru, Xavier, Floquet, Emilie, Dubois, Joëlle, Farce, Amaury, Rigo, Benoît
Format: Article
Language:English
Subjects:
Acetates - chemistry
Acetates - pharmacology
Antineoplastic Agents - chemistry
Antineoplastic Agents - pharmacology
Benzophenone
Benzophenones - chemistry
Benzophenones - pharmacology
Cell Line, Tumor
Chemical Sciences
Chloroacetate
DCA, dichloroacetic acid
Drug Screening Assays, Antitumor
Humans
Ligands
Molecular Docking Simulation
Neoplasms - drug therapy
Neoplasms - metabolism
PDHK1 (h), human pyruvate dehydrogenase kinase 1
Protein Kinase Inhibitors - chemistry
Protein Kinase Inhibitors - pharmacology
Pyruvate Dehydrogenase Acetyl-Transferring Kinase - antagonists & inhibitors
Pyruvate Dehydrogenase Acetyl-Transferring Kinase - metabolism
SAR, structure-activity relationship
Tubulin - metabolism
Tubulin Modulators - chemistry
Tubulin Modulators - pharmacology
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Description
Summary:[Display omitted] •34 synthesized benzo(thio)phenones.•Unprecedented dual tubulin/PDHK1 inhibitors identified.•Molecular docking on studied targets.•Cell cycle analysis on DA1-3b cells.•High cytotoxicity effect on NCI-60 cancer cell line panel (GI50 
ISSN:0045-2068
1090-2120
DOI:10.1016/j.bioorg.2020.103643