Discovery of resistance-resilient quinoline papain-like protease inhibitors through topology-constrained molecular generative design
Yongzhi Lu, Ting Ran, Qi Yang, Guihua Zhang, Jiayi Chen, Peiqi Zhou, Wenqi Li, Minyuan Xu, Jielin Tang, Minxian Dai, Jinpeng Zhong, Hua Chen, Pan He, Anqi Zhou, Bao Xue, , Jinsai Shang
This paper discovers a novel quinoline-based PLpro inhibitor, GZNL-2016, that remains effective against drug-resistant SARS-CoV-2 variants like Omicron BA.5 and XBB.1.
bioRxiv · Sep 7, 2024 · PreprintMicrobiology