Booe Jason M, Warner Margaret L, Pioszak Augen A
Department of Biochemistry and Molecular Biology, University of Oklahoma Health Sciences Center, Oklahoma City, Oklahoma 73104, United States.
ACS Pharmacol Transl Sci. 2020 Jul 24;3(4):759-772. doi: 10.1021/acsptsci.0c00031. eCollection 2020 Aug 14.
The calcitonin receptor-like class B G protein-coupled receptor (CLR) mediates adrenomedullin (AM) and calcitonin gene-related peptide (CGRP) functions including vasodilation, cardioprotection, and nociception. Receptor activity-modifying proteins (RAMP1-3) form heterodimers with CLR and determine its peptide ligand selectivity through an unresolved mechanism. The CGRP (RAMP1:CLR) and AM (RAMP2/3:CLR) receptors are proven or promising drug targets, but short AM and CGRP plasma half-lives limit their therapeutic utility. Here, we used synthetic peptide combinatorial library and rational design approaches to probe the ligand selectivity determinants and develop truncated AM and CGRP antagonist variants with receptor extracellular domain binding affinities that were enhanced ∼1000-fold into the low nanomolar range. Receptor binding studies and a high-resolution crystal structure of a novel library-identified AM variant bound to the RAMP2-CLR extracellular domain complex explained the increased affinities and defined roles for AM Lys46 and RAMP modulation of CLR conformation in the ligand selectivity mechanism. In longer AM and CGRP scaffolds that also bind the CLR transmembrane domain, the variants generated picomolar affinity antagonists, one with an estimated 12.5 h CGRP receptor residence time, and sustained signaling agonists "ss-AM" and "ss-CGRP" that exhibited persistent cAMP signaling after ligand washout. Sustained signaling was demonstrated in primary human umbilical vein endothelial cells and the SK-N-MC cell line, which endogenously express AM and CGRP receptors, respectively. This work clarifies the RAMP-modulated CLR ligand selectivity mechanism and provides AM and CGRP variants that are valuable pharmacological tools and may have potential as long-acting therapeutics.
降钙素受体样B类G蛋白偶联受体(CLR)介导肾上腺髓质素(AM)和降钙素基因相关肽(CGRP)的功能,包括血管舒张、心脏保护和伤害感受。受体活性修饰蛋白(RAMP1 - 3)与CLR形成异二聚体,并通过一种尚未明确的机制决定其肽配体选择性。CGRP(RAMP1:CLR)和AM(RAMP2/3:CLR)受体是已证实或有前景的药物靶点,但AM和CGRP的血浆半衰期较短限制了它们的治疗效用。在此,我们使用合成肽组合文库和理性设计方法来探究配体选择性决定因素,并开发截短的AM和CGRP拮抗剂变体,其与受体细胞外结构域的结合亲和力提高了约1000倍,进入低纳摩尔范围。受体结合研究以及一种与RAMP2 - CLR细胞外结构域复合物结合的新型文库鉴定的AM变体的高分辨率晶体结构解释了亲和力增加的原因,并确定了AM Lys46和RAMP对CLR构象的调节在配体选择性机制中的作用。在也与CLR跨膜结构域结合的更长的AM和CGRP支架中,这些变体产生了皮摩尔亲和力的拮抗剂,其中一种估计CGRP受体驻留时间为12.5小时,以及持续信号激动剂“ss - AM”和“ss - CGRP”,它们在配体洗脱后表现出持续的cAMP信号。在分别内源性表达AM和CGRP受体的原代人脐静脉内皮细胞和SK - N - MC细胞系中证实了持续信号。这项工作阐明了RAMP调节的CLR配体选择性机制,并提供了AM和CGRP变体,它们是有价值的药理学工具,可能具有作为长效治疗药物的潜力。