Identification of avian vasotocin receptor subtype-specific antagonists involved in the stress response of the chicken, Gallus gallus.
Amino Acid Sequence
Animals
Antidiuretic Hormone Receptor Antagonists
/ chemistry
Cells, Cultured
Chickens
Gene Expression
Ligands
Male
Models, Molecular
Molecular Conformation
Molecular Docking Simulation
Molecular Dynamics Simulation
Molecular Structure
Protein Binding
Receptors, Vasopressin
/ chemistry
Stress, Physiological
SR-49059
SSR-149415
V1a receptor
V1b receptor
molecular structural modelling
stress
Journal
Journal of biomolecular structure & dynamics
ISSN: 1538-0254
Titre abrégé: J Biomol Struct Dyn
Pays: England
ID NLM: 8404176
Informations de publication
Date de publication:
Apr 2019
Apr 2019
Historique:
pubmed:
17
4
2018
medline:
3
6
2020
entrez:
17
4
2018
Statut:
ppublish
Résumé
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.
Identifiants
pubmed: 29658387
doi: 10.1080/07391102.2018.1464957
pmc: PMC6240397
mid: NIHMS1501769
doi:
Substances chimiques
Antidiuretic Hormone Receptor Antagonists
0
Ligands
0
Receptors, Vasopressin
0
vasotocin receptor
0
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
1685-1699Subventions
Organisme : NCRR NIH HHS
ID : P20 RR015569
Pays : United States
Organisme : NIGMS NIH HHS
ID : P30 GM103450
Pays : United States
Organisme : NCI NIH HHS
ID : R01 CA172631
Pays : United States
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