New Theobromine Apoptotic Analogue with Anticancer Potential Targeting the EGFR Protein: Computational and In Vitro Studies
Ibrahim H. Eissa,
Reda G. Yousef,
Eslam B. Elkaeed
et al.
Abstract:Aim: The aim of this study was to design and examine
a novel epidermal
growth factor receptor (EGFR) inhibitor with apoptotic properties
by utilizing the essential structural characteristics of existing
EGFR inhibitors as a foundation. Method: The study began with the
natural alkaloid theobromine and developed a new semisynthetic derivative
(T-1-PMPA). Computational ADMET assessments were conducted
first to evaluate its anticipated safety and general drug-likeness.
Deep density functional theory (DFT) computat… Show more
Set email alert for when this publication receives citations?
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.