Carvedilol serves as a novel CYP1B1 inhibitor, a systematic drug repurposing approach through structure-based virtual screening and experimental verification
Ying Wang, Xiaomei He, Chunshi Li, Yan Ma, Wen-chi Xue, Baichun Hu, Jian Wang, Tingting Zhang, Fengjiao Zhang
Topics & Concepts
Virtual screeningDocking (animal)RepurposingDrug repositioningChemistryCarvedilolPharmacologyComputational biologyDrugDrug discoveryBiochemistryBiologyInternal medicineMedicineNursingEcologyHeart failureComputational Drug Discovery MethodsPharmacogenetics and Drug MetabolismAnalytical Chemistry and Chromatography