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

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

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...

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Main Authors: Sirajudheen Anwar (Author), Jowaher Alanazi (Author), Nafees Ahemad (Author), Shafaq Raza (Author), Tahir Ali Chohan (Author), Hammad Saleem (Author)
Format: Book
Published: Frontiers Media S.A., 2024-10-01T00:00:00Z.
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