Screening the possible anti-cancer constituents of Hibiscus rosa-sinensis flower to address mammalian target of rapamycin: an in silico molecular docking, HYDE scoring, dynamic studies, and pharmacokinetic prediction
Hezha O. Rasul, Bakhtyar K. Aziz, Dlzar D. Ghafour, Arif Kıvrak
Topics & Concepts
In silicoVirtual screeningAutoDockComputational biologyDocking (animal)Drug discoveryLipinski's rule of fiveLigand (biochemistry)ChemistryBreast cancerCancerPharmacologyBiologyBiochemistryReceptorMedicineGeneticsNursingGeneFree Radicals and AntioxidantsComputational Drug Discovery MethodsBioactive Compounds and Antitumor Agents