{"created":"2021-03-01T07:09:47.781407+00:00","id":31162,"links":{},"metadata":{"_buckets":{"deposit":"438a1f4b-1e59-4de3-acb4-4d2e40817179"},"_deposit":{"id":"31162","owners":[],"pid":{"revision_id":0,"type":"depid","value":"31162"},"status":"published"},"_oai":{"id":"oai:tsukuba.repo.nii.ac.jp:00031162","sets":["2770:2772","2770:2773","3:62:5297:1319"]},"item_5_biblio_info_6":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2014-07","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"13","bibliographicPageEnd":"2854","bibliographicPageStart":"2851","bibliographicVolumeNumber":"24","bibliographic_titles":[{"bibliographic_title":"Bioorganic & medicinal chemistry letters"}]}]},"item_5_creator_3":{"attribute_name":"著者別名","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"長瀬, 博"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"山本, 直司"}],"nameIdentifiers":[{},{},{}]}]},"item_5_description_4":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"Indolopropellane 2 was reported to show almost no binding affinity to the δ opioid receptor (DOR) in spite of the fact that 2 has both the propellane fundamental skeleton (message part) with binding ability to the opioid receptors and a possible DOR address structure (indole moiety). We developed the working hypothesis that almost no binding affinity of 2 to the DOR would be derived from its possibly stable bent conformer. To enable the propellane skeleton to adopt an extended conformation which would reasonably interact with the DOR, quinolinopropellanes 3a–d were designed which had an additional pharmacophore, quinoline nitrogen. The calculated binding free energies of ligand–DOR complexes strongly supported our working hypothesis. The synthesized quinolinopropellane 3a was a selective DOR full agonist, confirming our working hypothesis and the results of in silico investigation.","subitem_description_type":"Abstract"}]},"item_5_publisher_27":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"Elsevier "}]},"item_5_relation_10":{"attribute_name":"PubMed番号","attribute_value_mlt":[{"subitem_relation_type_id":{"subitem_relation_type_id_text":"24835200","subitem_relation_type_select":"PMID"}}]},"item_5_relation_11":{"attribute_name":"DOI","attribute_value_mlt":[{"subitem_relation_type_id":{"subitem_relation_type_id_text":"10.1016/j.bmcl.2014.04.098","subitem_relation_type_select":"DOI"}}]},"item_5_rights_12":{"attribute_name":"権利","attribute_value_mlt":[{"subitem_rights":" © 2014 Elsevier Ltd. All rights reserved. NOTICE: this is the author’s version of a work that was accepted for publication in Bioorganic & medicinal chemistry letters. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Bioorganic & medicinal chemistry letters 24,13,2014.http://dx.doi.org/10.1016/j.bmcl.2014.04.098."}]},"item_5_select_15":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_select_item":"author"}]},"item_5_source_id_7":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"0960-894X","subitem_source_identifier_type":"ISSN"}]},"item_5_source_id_9":{"attribute_name":"書誌レコードID","attribute_value_mlt":[{"subitem_source_identifier":"AA1079577X","subitem_source_identifier_type":"NCID"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":" Nagase, Hiroshi"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Nakajima, Ryo"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Yamamoto,  Naoshi"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Hirayama, Shigeto"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Iwai, Takashi"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Nemoto, Toru"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Gouda, Hiroaki"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Hirono, Shuichi"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Fujii, Hideaki"}],"nameIdentifiers":[{}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2014-07-24"}],"displaytype":"detail","filename":"BMCL_24-13.pdf","filesize":[{"value":"210.2 kB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"BMCL_24-13.pdf ","url":"https://tsukuba.repo.nii.ac.jp/record/31162/files/BMCL_24-13.pdf"},"version_id":"7e670c1d-90c8-4d53-8631-be2a2a41d233"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"eng"}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourcetype":"journal article","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_title":"Design and synthesis of quinolinopropellane derivatives with selective δ opioid receptor agonism","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Design and synthesis of quinolinopropellane derivatives with selective δ opioid receptor agonism"}]},"item_type_id":"5","owner":"1","path":["2773","2772","1319"],"pubdate":{"attribute_name":"公開日","attribute_value":"2014-07-24"},"publish_date":"2014-07-24","publish_status":"0","recid":"31162","relation_version_is_last":true,"title":["Design and synthesis of quinolinopropellane derivatives with selective δ opioid receptor agonism"],"weko_creator_id":"1","weko_shared_id":5},"updated":"2022-04-27T08:59:46.771529+00:00"}