104 262

Cited 3 times in

Investigating the Mechanism of Inhibition of Cyclin-Dependent Kinase 6 Inhibitory Potential by Selonsertib: Newer Insights Into Drug Repurposing

DC Field Value Language
dc.contributor.author동재준-
dc.date.accessioned2022-07-08T03:00:56Z-
dc.date.available2022-07-08T03:00:56Z-
dc.date.issued2022-05-
dc.identifier.urihttps://ir.ymlib.yonsei.ac.kr/handle/22282913/188622-
dc.description.abstractCyclin-dependent kinases (CDKs) play significant roles in numerous physiological, and are considered an attractive drug target for cancer, neurodegenerative, and inflammatory diseases. In the present study, we have aimed to investigate the binding affinity and inhibitory potential of selonsertib toward CDK6. Using the drug repurposing approach, we performed molecular docking of selonsertib with CDK6 and observed a significant binding affinity. To ascertain, we further performed essential dynamics analysis and free energy calculation, which suggested the formation of a stable selonsertib-CDK6 complex. The in-silico findings were further experimentally validated. The recombinant CDK6 was expressed, purified, and treated with selonsertib. The binding affinity of selonsertib to CDK6 was estimated by fluorescence binding studies and enzyme inhibition assay. The results indicated an appreciable binding of selonsertib against CDK6, which subsequently inhibits its activity with a commendable IC50 value (9.8 μM). We concluded that targeting CDK6 by selonsertib can be an efficient therapeutic approach to cancer and other CDK6-related diseases. These observations provide a promising opportunity to utilize selonsertib to address CDK6-related human pathologies.-
dc.description.statementOfResponsibilityopen-
dc.languageEnglish-
dc.publisherFrontiers Research Foundation-
dc.relation.isPartOfFRONTIERS IN ONCOLOGY-
dc.rightsCC BY-NC-ND 2.0 KR-
dc.titleInvestigating the Mechanism of Inhibition of Cyclin-Dependent Kinase 6 Inhibitory Potential by Selonsertib: Newer Insights Into Drug Repurposing-
dc.typeArticle-
dc.contributor.collegeCollege of Medicine (의과대학)-
dc.contributor.departmentDept. of Family Medicine (가정의학교실)-
dc.contributor.googleauthorMohammad Hassan Baig-
dc.contributor.googleauthorMohd Yousuf-
dc.contributor.googleauthorMohd Imran Khan-
dc.contributor.googleauthorImran Khan-
dc.contributor.googleauthorIrfan Ahmad-
dc.contributor.googleauthorMohammad Y Alshahrani-
dc.contributor.googleauthorMd Imtaiyaz Hassan-
dc.contributor.googleauthorJae-June Dong-
dc.identifier.doi10.3389/fonc.2022.865454-
dc.contributor.localIdA04927-
dc.relation.journalcodeJ03512-
dc.identifier.eissn2234-943X-
dc.identifier.pmid35720007-
dc.subject.keywordMD simulation-
dc.subject.keywordanticancer therapy-
dc.subject.keywordcyclin-dependent kinases-
dc.subject.keyworddrug design and development-
dc.subject.keyworddrug repurposing-
dc.subject.keywordmolecular docking-
dc.contributor.alternativeNameDong, Jae June-
dc.contributor.affiliatedAuthor동재준-
dc.citation.volume12-
dc.citation.startPage865454-
dc.identifier.bibliographicCitationFRONTIERS IN ONCOLOGY, Vol.12 : 865454, 2022-05-
Appears in Collections:
1. College of Medicine (의과대학) > Dept. of Family Medicine (가정의학교실) > 1. Journal Papers

qrcode

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.