Article
Identification of small-molecule EGFR allosteric inhibitors by high-throughput docking.
Future medicinal chemistry - 1 Jul 2018
Caporuscio Fabiana, Tinivella Annachiara, Restelli Valentina, Semrau Marta S, Pinzi Luca, Storici Paola, Broggini Massimo, Rastelli Giulio
Abstract excerpt
AIM: The EGFR inhibitors represent the first-line treatment of non-small-cell lung cancer. However, the emergence of resistance urgently requires the development of new inhibitors targeting drug-resistant mutants. METHODOLOGY: A recently released structure of an EGFR kinase domain in complex with an allosteric inhibitor and a mutant protein model derived from it were used to set up a low-cost high-throughput...
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