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Discovery of novel Akt1 inhibitors by an ensemble-based virtual screening method, molecular dynamics simulation, and in vitro biological activity testing

Wen Zhang, Mei‐Ling Hu, Xiu‐Yun Shi, Xiang‐Long Chen, Xue Su, Hua-Zhao Qi, Yuan Li, Hui Zhang

2024Molecular Diversity12 citationsDOI

Topics & Concepts

AKT1Virtual screeningPharmacophoreChemistryComputational biologyDocking (animal)Combinatorial chemistryProtein kinase BBiochemistryStereochemistryApoptosisBiologyMedicineNursingPI3K/AKT/mTOR signaling in cancerQuinazolinone synthesis and applicationsBiochemical and Molecular Research
Discovery of novel Akt1 inhibitors by an ensemble-based virtual screening method, molecular dynamics simulation, and in vitro biological activity testing | Litcius