a Department of Poultry Sciences , University of Arkansas , Fayetteville , AR , USA.
b Department of Chemistry and Biochemistry , University of Arkansas , Fayetteville , AR , USA.
J Biomol Struct Dyn. 2019 Apr;37(7):1685-1699. doi: 10.1080/07391102.2018.1464957. Epub 2018 May 17.
Vasotocin 1a and 1b receptors (V1aR and V1bR) have been shown to play important roles in the neuroendocrine regulation of stress responses via the anterior pituitary (AP) of birds. To identify effective subtype-specific antagonists for the chicken V1aR (cV1aR) and cV1bR, potential antagonists to the mammalian V1R were screened against the cV1aR and cV1bR 3D structural models by molecular docking analysis with determination of binding pocket/amino acid residues involved in the interaction. The antagonistic effects of the selected ligands were examined by measuring pro-opiomelanocortin (POMC) heteronuclear RNA (hnPOMC) levels following the in vitro stress administration to primary chicken AP cells. Results of in silico analysis showed that the Manning compound and several other antagonists were bound to cV1bR with higher affinity than the natural agonist, arginine vasotocin (AVT). Similarities and differences in the antagonist-receptor binding interface with receptors were characterized for each ligand. Non-peptide mammalian V1bR antagonists, SSR-149415 and L-368899, were shown to be effective and had an additive effect in blocking POMC hnRNA expression in pituitary cell culture studies. SR-49059 antagonized the effect(s) of AVT/CRH on the downregulation of the cV1aR and the upregulation of the cCRH-R2 expression but not the cV1bR and cCRH-R1. The Manning compound antagonized the downregulation of cV1aR, cV1bR and cCRH-R1 and the upregulation of cCRH-R2 expression. The specificity of antagonists apparently resulted from unique differences in the interacting residues and their binding affinities. Collectively, these results provide valuable leads for future development of novel compounds capable of blocking or attenuating the AP stress response of avian species and perhaps other non-mammalian vertebrates as well.
血管加压素 1a 和 1b 受体(V1aR 和 V1bR)已被证明在通过鸟类前垂体(AP)的神经内分泌调节应激反应中发挥重要作用。为了鉴定鸡 V1aR(cV1aR)和 cV1bR 的有效亚型特异性拮抗剂,通过分子对接分析筛选了潜在的哺乳动物 V1R 拮抗剂,以确定与 cV1aR 和 cV1bR 3D 结构模型相互作用的结合口袋/氨基酸残基。通过测量初级鸡 AP 细胞体外应激后促肾上腺皮质激素原(POMC)异核 RNA(hnPOMC)水平,检查所选配体的拮抗作用。计算机分析结果表明,与天然激动剂精氨酸加压素(AVT)相比,Manning 化合物和其他几种拮抗剂与 cV1bR 的结合亲和力更高。对于每种配体,都对拮抗剂 - 受体结合界面与受体的相似性和差异性进行了表征。非肽类哺乳动物 V1bR 拮抗剂 SSR-149415 和 L-368899 在垂体细胞培养研究中显示出有效且具有阻断 POMC hnRNA 表达的加性作用。SR-49059 拮抗 AVT/CRH 对 cV1aR 下调和 cCRH-R2 表达上调的作用,但不拮抗 cV1bR 和 cCRH-R1。Manning 化合物拮抗 cV1aR、cV1bR 和 cCRH-R1 的下调以及 cCRH-R2 的上调。拮抗剂的特异性显然是由于相互作用残基及其结合亲和力的独特差异所致。总的来说,这些结果为未来开发能够阻断或减弱禽类物种以及其他非哺乳动物脊椎动物的 AP 应激反应的新型化合物提供了有价值的线索。