{"metadata":{"_oai":{"id":"oai:ipsj.ixsq.nii.ac.jp:00184661","sets":["1164:5352:9135:9295"]},"path":["9295"],"owner":"11","recid":"184661","title":["インシリコスクリーニング技術を用いた抗シャーガス病の治療薬探索"],"pubdate":{"attribute_name":"公開日","attribute_value":"2017-11-27"},"_buckets":{"deposit":"e14ab911-e8cd-4d2c-be40-3b8bc6151ff9"},"_deposit":{"id":"184661","pid":{"type":"depid","value":"184661","revision_id":0},"owners":[11],"status":"published","created_by":11},"item_title":"インシリコスクリーニング技術を用いた抗シャーガス病の治療薬探索","author_link":["408438","408418","408443","408427","408437","408441","408442","408434","408425","408428","408431","408433","408432","408435","408424","408426","408439","408421","408430","408423","408436","408444","408422","408429","408440","408419","408420","408417"],"item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"インシリコスクリーニング技術を用いた抗シャーガス病の治療薬探索"},{"subitem_title":"Drug Discovery for Anti-Chagas Disease by <i>in-silico</i> Screening 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file","attribute_type":"file","attribute_value_mlt":[{"url":{"url":"https://ipsj.ixsq.nii.ac.jp/record/184661/files/IPSJ-BIO17052003.pdf","label":"IPSJ-BIO17052003.pdf"},"date":[{"dateType":"Available","dateValue":"2019-11-27"}],"format":"application/pdf","billing":["billing_file"],"filename":"IPSJ-BIO17052003.pdf","filesize":[{"value":"1.3 MB"}],"mimetype":"application/pdf","priceinfo":[{"tax":["include_tax"],"price":"660","billingrole":"5"},{"tax":["include_tax"],"price":"330","billingrole":"6"},{"tax":["include_tax"],"price":"0","billingrole":"41"},{"tax":["include_tax"],"price":"0","billingrole":"44"}],"accessrole":"open_date","version_id":"d903e803-d488-406c-872b-a00d0e4983a2","displaytype":"detail","licensetype":"license_note","license_note":"Copyright (c) 2017 by the Information Processing Society of Japan"}]},"item_4_creator_5":{"attribute_name":"著者名","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"吉野, 龍ノ介"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"安尾, 信明"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"萩原, 陽介"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"石田, 貴士"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"稲岡, 健"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"天野, 靖士"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"立石, 幸寛"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"大野, 一樹"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"生田目, 一寿"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"新美, 達也"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"折田, 正弥"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"北, 潔"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"秋山, 泰"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"関嶋, 政和"}],"nameIdentifiers":[{}]}]},"item_4_creator_6":{"attribute_name":"著者名(英)","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Ryunosuke, Yoshino","creatorNameLang":"en"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Nobuaki, Yasuo","creatorNameLang":"en"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Yohsuke, Hagiwara","creatorNameLang":"en"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Takashi, Ishida","creatorNameLang":"en"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Daniel, Ken Inaoka","creatorNameLang":"en"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Yasushi, Amano","creatorNameLang":"en"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Yukihiro, Tateishi","creatorNameLang":"en"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Kazuki, Ohno","creatorNameLang":"en"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Ichiji, Namatame","creatorNameLang":"en"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Tatsuya, Niimi","creatorNameLang":"en"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Masaya, Orita","creatorNameLang":"en"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Kiyoshi, Kita","creatorNameLang":"en"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Yutaka, Akiyama","creatorNameLang":"en"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Masakazu, Sekijima","creatorNameLang":"en"}],"nameIdentifiers":[{}]}]},"item_4_source_id_9":{"attribute_name":"書誌レコードID","attribute_value_mlt":[{"subitem_source_identifier":"AA12055912","subitem_source_identifier_type":"NCID"}]},"item_4_textarea_12":{"attribute_name":"Notice","attribute_value_mlt":[{"subitem_textarea_value":"SIG Technical Reports are nonrefereed and hence may later appear in any journals, conferences, symposia, etc."}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourceuri":"http://purl.org/coar/resource_type/c_18gh","resourcetype":"technical report"}]},"item_4_source_id_11":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"2188-8590","subitem_source_identifier_type":"ISSN"}]},"item_4_description_7":{"attribute_name":"論文抄録","attribute_value_mlt":[{"subitem_description":"顧みられない熱帯病の一つとして知られているシャーガス病は，寄生原虫である Trypanosoma cruzi によって引き起こされる感染症で，米国南部や中南米などの約 20 カ国で影響を及ぼす病気である．ニフルチモックスとベンズニダゾールは，既存のシャーガス病治療薬として使用されているが，重大な副作用や慢性期に効果が薄いなどの欠点を有する．そこで我々は，シャーガス病の新たな医療薬候補の探索を目的とし，標的タンパク質であるスペルミジン合成酵素に対してドッキングシミュレーションや分子動力学シミュレーションなどのバーチャルスクリーニングを行い，in vitro 試験及び X 線構造解析による複合体構造の詳細な解析を行った．ドッキング結果の上位 176 化合物の in vitro 試験によって評価を行った結果，IC50 が 10 uM オーダーのヒット化合物が得られ，更に X 線構造解析によってヒット化合物と標的タンパク質の複合体構造を明らかにした．","subitem_description_type":"Other"}]},"item_4_description_8":{"attribute_name":"論文抄録(英)","attribute_value_mlt":[{"subitem_description":"Chagas disease is an infectious disease caused by the parasitic protozoan Trypanosoma cruzi (T.cruzi). This disease affects people from approximately 20 countries, particularly those living in the southern United States and Latin America, with 15 million people estimated to be infected. Nifurtimox and Benznidazole are currently available for treatment of Chagas disease. However, there are serious problems associated with their use, including adverse effects and limited effectiveness during the chronic phase of this disease. Thus, developing new therapeutic agents against T. cruzi infection is warranted. In order to develop a novel anti-trypanosoma drug, protein-ligand docking simulation was carried out to discover drug candidate. Furthermore, in vitro assay was conducted to determine IC50 of the selected compounds against a target protein. And protein-ligand complex structures were determined by X-ray analysis. We performed protein-ligand docking simulation for target protein active site using medicine-like compounds approximately 4,800,000 and evaluated medicine-like compounds with high docking score by in vitro assay. As a result, we obtained active compounds which inhibit target protein with values for IC50 of 10 uM order.","subitem_description_type":"Other"}]},"item_4_biblio_info_10":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicPageEnd":"2","bibliographic_titles":[{"bibliographic_title":"研究報告バイオ情報学（BIO）"}],"bibliographicPageStart":"1","bibliographicIssueDates":{"bibliographicIssueDate":"2017-11-27","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"3","bibliographicVolumeNumber":"2017-BIO-52"}]},"relation_version_is_last":true,"weko_creator_id":"11"},"id":184661,"updated":"2025-01-20T03:13:15.452632+00:00","links":{},"created":"2025-01-19T00:51:59.053737+00:00"}