Phytoconstituents of Withania somnifera unveiled Ashwagandhanolide as a potential drug targeting breast cancer: Investigations through computational, molecular docking and conceptual DFT studies

Breast cancer is the second most common malignancy in females worldwide and poses a great challenge that necessitates the identification of novel therapeutic agents from several sources. This research aimed to study the molecular docking and molecular dynamics simulations of four proteins (such as P...

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Veröffentlicht in:PloS one 2022-10, Vol.17 (10), p.e0275432
Hauptverfasser: Gowtham, Hittanahallikoppal Gajendramurthy, Murali, Mahadevamurthy, Singh, Sudarshana Brijesh, Shivamallu, Chandan, Pradeep, Sushma, Shivakumar, C S, Anandan, Satish, Thampy, Anjana, Achar, Raghu Ram, Silina, Ekaterina, Stupin, Victor, Ortega-Castro, Joaquín, Frau, Juan, Flores-Holguín, Norma, Amruthesh, Kestur Nagaraj, Kollur, Shiva Prasad, Glossman-Mitnik, Daniel
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Sprache:eng
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