Articles with "theobromine derivative" as a keyword



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New Anticancer Theobromine Derivative Targeting EGFRWT and EGFRT790M: Design, Semi-Synthesis, In Silico, and In Vitro Anticancer Studies

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Published in 2022 at "Molecules"

DOI: 10.3390/molecules27185859

Abstract: Based on the pharmacophoric features of EGFR inhibitors, a new semisynthetic theobromine-derived compound was designed to interact with the catalytic pocket of EGFR. Molecular docking against wild (EGFRWT; PDB: 4HJO) and mutant (EGFRT790M; PDB: 3W2O)… read more here.

Keywords: compound; silico; theobromine derivative; theobromine ... See more keywords