Liu Yang, Xueping Hu, Yang Lu, Ruolan Xu, Yaping Xu, WanLi Ma, Md Shah Alam, Tianyu Zhang, Xin Chai, Yixuan Lei, Qing Ye, Xiaowu Dong, Yu Kang, Jinxin Che, Tingjun Hou, Dan Li
Decaprenylphosphoryl-β-d-ribose oxidase (DprE1) is a promising target for treating tuberculosis (TB). Currently, most novel DprE1 inhibitors are discovered through high-throughput screening, while computer-aided drug design (CADD) strategies are expected to promote the discovery process. In this study, with the aid of structure-based virtual screening and computationally guided design, a series of novel scaffold N -(1-(6-oxo-1,6-dihydropyrimidine)-pyrazole) acetamide derivatives with significant antimycobacterial activities were identified...
January 17, 2024: Journal of Medicinal Chemistry