Suo Yang, Fedor Justin G, Zhang Han, Tsolova Kalina, Shi Xiaoyu, Sharma Kedar, Kumari Shweta, Borgnia Mario, Zhan Peng, Im Wonpil, Lee Seok-Yong
Department of Biochemistry, Duke University School of Medicine, Durham, NC, USA.
Departments of Biological Sciences, Lehigh University, Bethlehem, PA, USA.
Nat Commun. 2025 Jun 4;16(1):5178. doi: 10.1038/s41467-025-60480-3.
Hyperuricemia is a condition when uric acid, a waste product of purine metabolism, accumulates in the blood. Untreated hyperuricemia can lead to crystal formation of monosodium urate in the joints, causing a painful inflammatory disease known as gout. These conditions are associated with many other diseases and affect a significant and increasing proportion of the population. The human urate transporter 1 (URAT1) is responsible for the reabsorption of ~90% of uric acid in the kidneys back into the blood, making it a primary target for treating hyperuricemia and gout. Despite decades of research and development, clinically available URAT1 inhibitors have limitations because the molecular basis of URAT1 inhibition by gout drugs remains unknown. Here we present cryo-electron microscopy structures of URAT1 alone and in complex with three clinically relevant inhibitors: benzbromarone, lesinurad, and the recently developed compound TD-3. Together with functional experiments and molecular dynamics simulations, we reveal that these inhibitors bind selectively to URAT1 in inward-open states. Furthermore, we discover differences in the inhibitor-dependent URAT1 conformations as well as interaction networks, which contribute to drug specificity. Our findings illuminate a general theme for URAT1 inhibition, paving the way for the design of next-generation URAT1 inhibitors in the treatment of gout and hyperuricemia.
高尿酸血症是一种嘌呤代谢废物尿酸在血液中积聚的病症。未经治疗的高尿酸血症可导致关节中尿酸钠晶体形成,引发一种称为痛风的疼痛性炎症疾病。这些病症与许多其他疾病相关,并且影响着相当大且不断增加的人口比例。人类尿酸转运蛋白1(URAT1)负责将肾脏中约90%的尿酸重吸收回血液中,使其成为治疗高尿酸血症和痛风的主要靶点。尽管经过了数十年的研发,但临床上可用的URAT1抑制剂存在局限性,因为痛风药物抑制URAT1的分子基础仍然未知。在此,我们展示了单独的URAT1以及与三种临床相关抑制剂(苯溴马隆、雷西纳德和最近开发的化合物TD-3)结合的低温电子显微镜结构。结合功能实验和分子动力学模拟,我们揭示这些抑制剂选择性地结合处于向内开放状态的URAT1。此外,我们发现了抑制剂依赖性URAT1构象以及相互作用网络的差异,这有助于药物特异性。我们的研究结果阐明了URAT1抑制的一般规律,为设计治疗痛风和高尿酸血症的下一代URAT1抑制剂铺平了道路。