Deciphering quinazoline derivatives' interactions with EGFR: a computational quest for advanced cancer therapy through 3D-QSAR, virtual screening, and MD simulations

• Κύριοι συγγραφείς: Sirajudheen Anwar (Συγγραφέας), Jowaher Alanazi (Συγγραφέας), Nafees Ahemad (Συγγραφέας), Shafaq Raza (Συγγραφέας), Tahir Ali Chohan (Συγγραφέας), Hammad Saleem (Συγγραφέας)
• Μορφή: Βιβλίο
• Έκδοση: Frontiers Media S.A., 2024-10-01T00:00:00Z.
• Θέματα: article
• Διαθέσιμο Online: Connect to this object online.

IntroductionThe epidermal growth factor receptor (EGFR) presents a crucial target for combatting cancer mortality.MethodsThis study employs a suite of computational techniques, including 3D-QSAR, ligand-based virtual screening, molecular docking, fingerprinting analysis, ADME, and DFT-based analyses...