Wu Xinyu, Devine Shane M, Go Margareta, Nguyen Julie V, Lu Bernadine G C, Loi Katie, Kuchel Nathan W, Lowes Kym N, Mitchell Jeffrey P, Lessene Guillaume, Komander David, Call Matthew E, Call Melissa J
The Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia.
Department of Medical Biology, University of Melbourne, Parkville, Victoria, Australia.
PLoS Pathog. 2025 Sep 5;21(9):e1013468. doi: 10.1371/journal.ppat.1013468. eCollection 2025 Sep.
Drug-escape, where a target evolves to escape inhibition from a drug, has the potential to lead to cross-resistance where drugs that are structurally related or share similar binding mechanisms all become less effective. PLpro inhibitors are currently under development and many emerging PLpro inhibitors are derived from GRL0617, a repurposed SARS-CoV PLpro inhibitor with moderate activity against SARS-CoV-2. Two leading derivatives, PF-07957472 and Jun12682, demonstrate low nanomolar activity and display activity in mice. WEHI-P8 is structurally distinct but binds to a similar pocket adjacent to the active site as GRL0617-like compounds. Using deep mutational scanning, we assessed the potential for PLpro to develop resistance to PF-07957472, Jun12682, and WEHI-P8. PF-07957472 and Jun12682 exhibited largely overlapping escape mutations due to their shared scaffold and binding modes, whereas WEHI-P8 resistance mutations were distinct. These findings underscore the importance of developing structurally diverse inhibitors to minimize resistance risks and ensure that viral mutations against one compound do not compromise the efficacy of others.
药物逃逸是指靶点发生进化以逃避药物的抑制作用,它有可能导致交叉耐药,即结构相关或具有相似结合机制的药物都变得效果不佳。木瓜蛋白酶样蛋白酶(PLpro)抑制剂目前正在研发中,许多新兴的PLpro抑制剂都源自GRL0617,这是一种重新利用的针对严重急性呼吸综合征冠状病毒(SARS-CoV)的PLpro抑制剂,对严重急性呼吸综合征冠状病毒2(SARS-CoV-2)具有中等活性。两种主要的衍生物PF-07957472和Jun12682表现出低纳摩尔活性,并在小鼠体内显示出活性。WEHI-P8在结构上不同,但与GRL0617样化合物一样,结合在活性位点附近的类似口袋中。通过深度突变扫描,我们评估了PLpro对PF-07957472、Jun12682和WEHI-P8产生耐药性的可能性。PF-07957472和Jun12682由于其共享的支架和结合模式,表现出很大程度上重叠的逃逸突变,而WEHI-P8的耐药突变则不同。这些发现强调了开发结构多样的抑制剂以最小化耐药风险并确保针对一种化合物的病毒突变不会损害其他化合物疗效的重要性。