Identification of natural flavonoids as novel EGFR inhibitors using DFT, molecular docking, and molecular dynamics
| العنوان: | Identification of natural flavonoids as novel EGFR inhibitors using DFT, molecular docking, and molecular dynamics |
|---|---|
| المؤلفون: | Nayim Sepay, Rina Mondal, Muhanna K. Al-Muhanna, Debajyoti Saha |
| المصدر: | New Journal of Chemistry. 46:9735-9744 |
| بيانات النشر: | Royal Society of Chemistry (RSC), 2022. |
| سنة النشر: | 2022 |
| مصطلحات موضوعية: | Materials Chemistry, General Chemistry, Catalysis |
| الوصف: | The quantum mechanical descriptors from DFT, molecular docking, molecular dynamics, and NCIplot methodology have been utilized to find a potential anti-EGFR flavonoid. |
| تدمد: | 1369-9261 1144-0546 |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_________::5ec53aa3015601ca8b9b562f08e61c6a https://doi.org/10.1039/d2nj00389a |
| حقوق: | CLOSED |
| رقم الأكسشن: | edsair.doi...........5ec53aa3015601ca8b9b562f08e61c6a |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 13699261 11440546 |
|---|