Quantum chemical modeling, molecular docking, and ADMET evaluation of imidazole phenothiazine hybrids

Quantum chemical modeling, molecular docking, and ADMET evaluation of imidazole phenothiazine hybrids

Abstract Cancer is one of the biggest challenges for health concerns in the world. There are so many drugs available, but they have a lack of specificity, poor safety, side effects, and the development of resistance. Therefore, there is an urgent need for much safer and more targeted anticancer trea...

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Main Authors: Deepanjali Shukla, Iqbal Azad, Sabahat Yasmeen Sheikh, Saud Nusrat Ali, Naseem Ahmad, Azhar Kamal, Mohd Faiyyaz, Abdul Rahman Khan, Varish Ahmad, Anwar A. Alghamdi, Malik Nasibullah, Firoj Hassan
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Scientific Reports
Subjects:
Imidazole
Phenothiazine
Molecular docking
MD simulation
DFT
EGFR inhibitor
Online Access:https://doi.org/10.1038/s41598-025-90495-1
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https://doi.org/10.1038/s41598-025-90495-1

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