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Computational identification of natural product inhibitors against EGFR double mutant (T790M/L858R) by integrating ADMET, machine learning, molecular docking and a dynamics approach

Double mutated epidermal growth factor receptor is a clinically important target for addressing drug resistance in lung cancer treatment. Therefore, discovering new inhibitors against the T790M/L858R (TMLR) resistant mutation is ongoing globally. In the present study, nearly 150 000 molecules from v...

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Detalles Bibliográficos
Autores principales:	Agarwal, Subhash M., Nandekar, Prajwal, Saini, Ravi
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2022
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9170516/ https://www.ncbi.nlm.nih.gov/pubmed/35754875 http://dx.doi.org/10.1039/d2ra00373b

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