Discovery of Benzopyridone-Based Transient Receptor Potential Vanilloid 1 Agonists and Antagonists and the Structural Elucidation of Their Activity Shift
DC Field | Value | Language |
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dc.contributor.author | Thorat, S.A. | - |
dc.contributor.author | Lee, Y. | - |
dc.contributor.author | Jung, A. | - |
dc.contributor.author | Ann, J. | - |
dc.contributor.author | Ahn, S. | - |
dc.contributor.author | Baek, J. | - |
dc.contributor.author | Zuo, D. | - |
dc.contributor.author | Do, N. | - |
dc.contributor.author | Jeong, J.J. | - |
dc.contributor.author | Blumberg, P.M. | - |
dc.contributor.author | Esch, T.E. | - |
dc.contributor.author | Turcios, N.A. | - |
dc.contributor.author | Pearce, L.V. | - |
dc.contributor.author | Ha, H.-J. | - |
dc.contributor.author | Yoo, Y.D. | - |
dc.contributor.author | Hong, S. | - |
dc.contributor.author | Choi, S. | - |
dc.contributor.author | Lee, J. | - |
dc.date.accessioned | 2023-03-08T11:44:54Z | - |
dc.date.available | 2023-03-08T11:44:54Z | - |
dc.date.issued | 2021-01-14 | - |
dc.identifier.issn | 0022-2623 | - |
dc.identifier.issn | 1520-4804 | - |
dc.identifier.uri | https://scholarworks.bwise.kr/cau/handle/2019.sw.cau/62609 | - |
dc.description.abstract | Among a series of benzopyridone-based scaffolds investigated as human transient receptor potential vanilloid 1 (TRPV1) ligands, two isomeric benzopyridone scaffolds demonstrated a consistent and distinctive functional profile in which 2-oxo-1,2-dihydroquinolin-5-yl analogues (e.g., 2) displayed high affinity and potent antagonism, whereas 1-oxo-1,2-dihydroisoquinolin-5-yl analogues (e.g., 3) showed full agonism with high potency. Our computational models provide insight into the agonist-antagonist boundary of the analogues suggesting that the Arg557 residue in the S4-S5 linker might be important for sensing the agonist binding and transmitting signals. These results provide structural insights into the TRPV1 and the protein-ligand interactions at a molecular level. © | - |
dc.format.extent | 15 | - |
dc.language | 영어 | - |
dc.language.iso | ENG | - |
dc.publisher | American Chemical Society | - |
dc.title | Discovery of Benzopyridone-Based Transient Receptor Potential Vanilloid 1 Agonists and Antagonists and the Structural Elucidation of Their Activity Shift | - |
dc.type | Article | - |
dc.identifier.doi | 10.1021/acs.jmedchem.0c00982 | - |
dc.identifier.bibliographicCitation | Journal of Medicinal Chemistry, v.64, no.1, pp 370 - 384 | - |
dc.description.isOpenAccess | N | - |
dc.identifier.wosid | 000611409600018 | - |
dc.identifier.scopusid | 2-s2.0-85100070142 | - |
dc.citation.endPage | 384 | - |
dc.citation.number | 1 | - |
dc.citation.startPage | 370 | - |
dc.citation.title | Journal of Medicinal Chemistry | - |
dc.citation.volume | 64 | - |
dc.type.docType | Article | - |
dc.publisher.location | 미국 | - |
dc.subject.keywordPlus | CAPSAICIN RECEPTOR | - |
dc.subject.keywordPlus | PROTEIN STRUCTURES | - |
dc.subject.keywordPlus | ION-CHANNEL | - |
dc.subject.keywordPlus | FORCE-FIELD | - |
dc.subject.keywordPlus | PAIN | - |
dc.subject.keywordPlus | MOLECULES | - |
dc.subject.keywordPlus | GROMACS | - |
dc.subject.keywordPlus | 2-(3-FLUORO-4-METHYLSULFONYLAMINOPHENYL)PROPANAMIDES | - |
dc.subject.keywordPlus | PHARMACOLOGY | - |
dc.subject.keywordPlus | MECHANISMS | - |
dc.relation.journalResearchArea | Pharmacology & Pharmacy | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Medicinal | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
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