Article
Identification of EGFR inhibitors as potential agents for cancer therapy: pharmacophore-based modeling, molecular docking, and molecular dynamics investigations.
Journal of molecular modeling - 4 Apr 2023
Ashiru Mojeed Ayoola, Ogunyemi Sherif Olabisi, Temionu Oluwakemi Rita, Ajibare Abosede Christina, Cicero-Mfon Nsikak Cicerella, Ihekuna Ogechi Augustina, Jagun Monsurat Olatoun, Abdulmumin Latifatu, Adisa Quadri Kolawole, Asibor Yemisi Elizabeth, Okorie Chika Joseph, Lawal Mariam Omowumi, Babalola Musa Oladayo, Abdulrasaq Ibrahim Tope, Salau Latifat Bukola, Olatunji Idayat Omotolani, Bankole Memunat Alake, Daud Abibat Bisola, Adeyemi Ayodeji Oluwadamilare
Abstract excerpt
CONTEXT: As a member of a large family of proteins that together regulate various aspects of cell growth and development, the epidermal growth factor receptor (EGFR) is a validated target for the development of new drugs. Herein, we compiled a library of 62 compounds from the PubChem database with similar pharmacophores as osimertinib, which to our knowledge represents the only drug capable of overcoming...
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