A chemocentric approach to the identification of cancer targets.

PloS One
Beáta FlachnerGyörgy Dormán

Abstract

A novel chemocentric approach to identifying cancer-relevant targets is introduced. Starting with a large chemical collection, the strategy uses the list of small molecule hits arising from a differential cytotoxicity screening on tumor HCT116 and normal MRC-5 cell lines to identify proteins associated with cancer emerging from a differential virtual target profiling of the most selective compounds detected in both cell lines. It is shown that this smart combination of differential in vitro and in silico screenings (DIVISS) is capable of detecting a list of proteins that are already well accepted cancer drug targets, while complementing it with additional proteins that, targeted selectively or in combination with others, could lead to synergistic benefits for cancer therapeutics. The complete list of 115 proteins identified as being hit uniquely by compounds showing selective antiproliferative effects for tumor cell lines is provided.

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Oct 23, 2013·Future Medicinal Chemistry·Ifedayo Victor OgungbeWilliam N Setzer
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Oct 22, 2019·Frontiers in Pharmacology·Joaquim Olivés, Jordi Mestres
Mar 20, 2021·Cell Chemical Biology·Rebecca E HughesNeil O Carragher

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Methods Mentioned

BETA
proteomic profiling
sumoylation

Software Mentioned

OncoScores
IntOGen
DIVISS
ChEMBLdb
CGPrio
IUPHARdb
CancerGrid
PubChem
PDSP
BindingMOAD

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