Discovery of pyrazolo[1,5-a]pyrimidine derivatives targeting TLR4-TLR4∗ homodimerization via AI-powered next-generation screening.

Autor: Jiang YY; State Key Laboratory of Membrane Biology, School of Pharmaceutical Sciences, Tsinghua-Peking Center for Life Sciences, Key Laboratory of Bioorganic Phosphorous Chemistry and Chemical Biology (Ministry of Education), Tsinghua University, Beijing, 100084, China., Yan ST; State Key Laboratory of Membrane Biology, School of Pharmaceutical Sciences, Tsinghua-Peking Center for Life Sciences, Key Laboratory of Bioorganic Phosphorous Chemistry and Chemical Biology (Ministry of Education), Tsinghua University, Beijing, 100084, China., Zhang SZ; PaddleHelix Team, Baidu Inc., Shenzhen, 518000, China., Wang M; Toll Biotech Co., Ltd. (Beijing), Beijing, 102209, China., Diao WM; Toll Biotech Co., Ltd. (Beijing), Beijing, 102209, China., Li J; PaddleHelix Team, Baidu Inc., Shenzhen, 518000, China., Fang XM; PaddleHelix Team, Baidu Inc., Shenzhen, 518000, China., Yin H; State Key Laboratory of Membrane Biology, School of Pharmaceutical Sciences, Tsinghua-Peking Center for Life Sciences, Key Laboratory of Bioorganic Phosphorous Chemistry and Chemical Biology (Ministry of Education), Tsinghua University, Beijing, 100084, China. Electronic address: yin_hang@tsinghua.edu.cn.

Publikováno v: European journal of medicinal chemistry [Eur J Med Chem] 2024 Dec 15; Vol. 280, pp. 116945. Date of Electronic Publication: 2024 Oct 06.