DC Field | Value | Language |
---|---|---|
dc.contributor.author | Anh Thi Ngoc Bui | ko |
dc.contributor.author | Son, Hyojin | ko |
dc.contributor.author | Park, Seulki | ko |
dc.contributor.author | Oh, Sohee | ko |
dc.contributor.author | Kim, Jin-Sik | ko |
dc.contributor.author | Cho, Jin Hwa | ko |
dc.contributor.author | Hwang, Hye-Jin | ko |
dc.contributor.author | Kim, Jeong-Hoon | ko |
dc.contributor.author | Yi, Gwan-Su | ko |
dc.contributor.author | Chi, Seung-Wook | ko |
dc.date.accessioned | 2021-12-23T06:40:09Z | - |
dc.date.available | 2021-12-23T06:40:09Z | - |
dc.date.created | 2021-12-23 | - |
dc.date.created | 2021-12-23 | - |
dc.date.created | 2021-12-23 | - |
dc.date.issued | 2022-01 | - |
dc.identifier.citation | BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, v.588, pp.97 - 103 | - |
dc.identifier.issn | 0006-291X | - |
dc.identifier.uri | http://hdl.handle.net/10203/290956 | - |
dc.description.abstract | Apoptosis plays an essential role in maintaining cellular homeostasis and preventing cancer progression. Bcl-xL, an anti-apoptotic protein, is an important modulator of the mitochondrial apoptosis pathway and is a promising target for anticancer therapy. In this study, we identified octenidine as a novel Bcl-xL inhibitor through structural feature-based deep learning and molecular docking from a library of approved drugs. The NMR experiments demonstrated that octenidine binds to the Bcl-2 homology 3 (BH3) domain-binding hydrophobic region that consists of the BH1, BH2, and BH3 domains in Bcl-xL. A structural model of the Bcl-xL/octenidine complex revealed that octenidine binds to Bcl-xL in a similar manner to that of the well-known Bcl-2 family protein antagonist ABT-737. Using the NanoBiT protein–protein interaction system, we confirmed that the interaction between Bcl-xL and Bak-BH3 domains within cells was inhibited by octenidine. Furthermore, octenidine inhibited the proliferation of MCF-7 breast and H1299 lung cancer cells by promoting apoptosis. Taken together, our results shed light on a novel mechanism in which octenidine directly targets anti-apoptotic Bcl-xL to trigger mitochondrial apoptosis in cancer cells. | - |
dc.language | English | - |
dc.publisher | ACADEMIC PRESS INC ELSEVIER SCIENCE | - |
dc.title | Artificial intelligence-based identification of octenidine as a Bcl-xL inhibitor | - |
dc.type | Article | - |
dc.identifier.wosid | 000735880700013 | - |
dc.identifier.scopusid | 2-s2.0-85121537079 | - |
dc.type.rims | ART | - |
dc.citation.volume | 588 | - |
dc.citation.beginningpage | 97 | - |
dc.citation.endingpage | 103 | - |
dc.citation.publicationname | BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS | - |
dc.identifier.doi | 10.1016/j.bbrc.2021.12.061 | - |
dc.contributor.localauthor | Yi, Gwan-Su | - |
dc.contributor.nonIdAuthor | Anh Thi Ngoc Bui | - |
dc.contributor.nonIdAuthor | Park, Seulki | - |
dc.contributor.nonIdAuthor | Oh, Sohee | - |
dc.contributor.nonIdAuthor | Kim, Jin-Sik | - |
dc.contributor.nonIdAuthor | Cho, Jin Hwa | - |
dc.contributor.nonIdAuthor | Hwang, Hye-Jin | - |
dc.contributor.nonIdAuthor | Kim, Jeong-Hoon | - |
dc.contributor.nonIdAuthor | Chi, Seung-Wook | - |
dc.description.isOpenAccess | N | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordAuthor | Bcl-xLArti ficial intelligence-based screeningOctenidineAnti-cancer effectNMR spectroscopy | - |
dc.subject.keywordPlus | FAMILY PROTEINSAPOPTOSISBCL-X(L)ABT-737CANCERDOMAININDUCE | - |
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