WEKO3
アイテム
{"_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": ["2773", "2772", "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 \u0026 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": [{"nameIdentifier": "107465", "nameIdentifierScheme": "WEKO"}]}, {"creatorNames": [{"creatorName": "山本, 直司"}], "nameIdentifiers": [{"nameIdentifier": "108905", "nameIdentifierScheme": "WEKO"}, {"nameIdentifier": "80580216", "nameIdentifierScheme": "e-Rad", "nameIdentifierURI": "https://nrid.nii.ac.jp/ja/nrid/1000080580216"}, {"nameIdentifier": "0000003351", "nameIdentifierScheme": "筑波大学研究者総覧", "nameIdentifierURI": "http://trios.tsukuba.ac.jp/researcher/0000003351"}]}]}, "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 \u0026 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 \u0026 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_5_subject_20": {"attribute_name": "NIIサブジェクト", "attribute_value_mlt": [{"subitem_subject": "化学 ", "subitem_subject_scheme": "Other"}]}, "item_creator": {"attribute_name": "著者", "attribute_type": "creator", "attribute_value_mlt": [{"creatorNames": [{"creatorName": " Nagase, Hiroshi"}], "nameIdentifiers": [{"nameIdentifier": "107456", "nameIdentifierScheme": "WEKO"}]}, {"creatorNames": [{"creatorName": "Nakajima, Ryo"}], "nameIdentifiers": [{"nameIdentifier": "107457", "nameIdentifierScheme": "WEKO"}]}, {"creatorNames": [{"creatorName": "Yamamoto, Naoshi"}], "nameIdentifiers": [{"nameIdentifier": "107458", "nameIdentifierScheme": "WEKO"}]}, {"creatorNames": [{"creatorName": "Hirayama, Shigeto"}], "nameIdentifiers": [{"nameIdentifier": "107459", "nameIdentifierScheme": "WEKO"}]}, {"creatorNames": [{"creatorName": "Iwai, Takashi"}], "nameIdentifiers": [{"nameIdentifier": "107460", "nameIdentifierScheme": "WEKO"}]}, {"creatorNames": [{"creatorName": "Nemoto, Toru"}], "nameIdentifiers": [{"nameIdentifier": "107461", "nameIdentifierScheme": "WEKO"}]}, {"creatorNames": [{"creatorName": "Gouda, Hiroaki"}], "nameIdentifiers": [{"nameIdentifier": "107462", "nameIdentifierScheme": "WEKO"}]}, {"creatorNames": [{"creatorName": "Hirono, Shuichi"}], "nameIdentifiers": [{"nameIdentifier": "107463", "nameIdentifierScheme": "WEKO"}]}, {"creatorNames": [{"creatorName": "Fujii, Hideaki"}], "nameIdentifiers": [{"nameIdentifier": "107464", "nameIdentifierScheme": "WEKO"}]}]}, "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", "download_preview_message": "", "file_order": 0, "filename": "BMCL_24-13.pdf", "filesize": [{"value": "210.2 kB"}], "format": "application/pdf", "future_date_message": "", "is_thumbnail": false, "licensetype": "license_free", "mimetype": "application/pdf", "size": 210200.0, "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"], "permalink_uri": "http://hdl.handle.net/2241/00121817", "pubdate": {"attribute_name": "公開日", "attribute_value": "2014-07-24"}, "publish_date": "2014-07-24", "publish_status": "0", "recid": "31162", "relation": {}, "relation_version_is_last": true, "title": ["Design and synthesis of quinolinopropellane derivatives with selective δ opioid receptor agonism"], "weko_shared_id": 5}
Design and synthesis of quinolinopropellane derivatives with selective δ opioid receptor agonism
http://hdl.handle.net/2241/00121817
http://hdl.handle.net/2241/00121817f2a0eb85-fd78-4802-8df3-09e25bbec52f
名前 / ファイル | ライセンス | アクション |
---|---|---|
BMCL_24-13.pdf (210.2 kB)
|
|
Item type | Journal Article(1) | |||||
---|---|---|---|---|---|---|
公開日 | 2014-07-24 | |||||
タイトル | ||||||
タイトル | Design and synthesis of quinolinopropellane derivatives with selective δ opioid receptor agonism | |||||
言語 | ||||||
言語 | eng | |||||
資源タイプ | ||||||
資源 | http://purl.org/coar/resource_type/c_6501 | |||||
タイプ | journal article | |||||
著者 |
Nagase, Hiroshi
× Nagase, Hiroshi× Nakajima, Ryo× Yamamoto, Naoshi× Hirayama, Shigeto× Iwai, Takashi× Nemoto, Toru× Gouda, Hiroaki× Hirono, Shuichi× Fujii, Hideaki |
|||||
著者別名 |
長瀬, 博
× 長瀬, 博× 山本, 直司 |
|||||
抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | 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. | |||||
書誌情報 |
Bioorganic & medicinal chemistry letters 巻 24, 号 13, p. 2851-2854, 発行日 2014-07 |
|||||
ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 0960-894X | |||||
書誌レコードID | ||||||
収録物識別子タイプ | NCID | |||||
収録物識別子 | AA1079577X | |||||
PubMed番号 | ||||||
識別子タイプ | PMID | |||||
関連識別子 | 24835200 | |||||
DOI | ||||||
識別子タイプ | DOI | |||||
関連識別子 | 10.1016/j.bmcl.2014.04.098 | |||||
権利 | ||||||
権利情報 | © 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. | |||||
著者版フラグ | ||||||
値 | author | |||||
出版者 | ||||||
出版者 | Elsevier |