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

Simple item page
dc.contributor.authorBaig M. H.
dc.contributor.authorYousuf M.
dc.contributor.authorKhan M. I.
dc.contributor.authorKHAN I.
dc.contributor.authorAhmad I.
dc.contributor.authorAlshahrani M. Y.
dc.contributor.authorHassan M. I.
dc.contributor.authorDong J.
dc.contributor.institutionauthorKHAN, IMRAN
dc.date.accessioned2023-01-08T22:59:39Z
dc.date.available2023-01-08T22:59:39Z
dc.date.issued2022-05-26
dc.description.abstractCopyright © 2022 Baig, Yousuf, Khan, Khan, Ahmad, Alshahrani, Hassan and Dong.Cyclin-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.identifier.citationBaig M. H., Yousuf M., Khan M. I., KHAN I., Ahmad I., Alshahrani M. Y., Hassan M. I., Dong J., "Investigating the Mechanism of Inhibition of Cyclin-Dependent Kinase 6 Inhibitory Potential by Selonsertib: Newer Insights Into Drug Repurposing", Frontiers in Oncology, cilt.12, 2022
dc.identifier.doi10.3389/fonc.2022.865454
dc.identifier.issn2234-943X
dc.identifier.pubmed35720007
dc.identifier.urihttps://avesis.bezmialem.edu.tr/api/publication/f77618d7-d912-4c95-ac3b-040251e0f46a/file
dc.identifier.urihttps://hdl.handle.net/20.500.12645/34928
dc.identifier.volume12
dc.relation.ispartofFrontiers in Oncology
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectTıp
dc.subjectDahili Tıp Bilimleri
dc.subjectİç Hastalıkları
dc.subjectOnkoloji
dc.subjectYaşam Bilimleri
dc.subjectMoleküler Biyoloji ve Genetik
dc.subjectSitogenetik
dc.subjectSağlık Bilimleri
dc.subjectTemel Bilimler
dc.subjectMedicine
dc.subjectInternal Medicine Sciences
dc.subjectInternal Diseases
dc.subjectOncology
dc.subjectLife Sciences
dc.subjectMolecular Biology and Genetics
dc.subjectCytogenetic
dc.subjectHealth Sciences
dc.subjectNatural Sciences
dc.subjectKlinik Tıp (MED)
dc.subjectYaşam Bilimleri (LIFE)
dc.subjectKlinik Tıp
dc.subjectONKOLOJİ
dc.subjectBİYOKİMYA VE MOLEKÜLER BİYOLOJİ
dc.subjectClinical Medicine (MED)
dc.subjectLife Sciences (LIFE)
dc.subjectCLINICAL MEDICINE
dc.subjectMOLECULAR BIOLOGY & GENETICS
dc.subjectONCOLOGY
dc.subjectBIOCHEMISTRY & MOLECULAR BIOLOGY
dc.subjectKanser Araştırmaları
dc.subjectCancer Research
dc.subjectanticancer therapy
dc.subjectcyclin-dependent kinases
dc.subjectdrug design and development
dc.subjectdrug repurposing
dc.subjectMD simulation
dc.subjectmolecular docking
dc.titleInvestigating the Mechanism of Inhibition of Cyclin-Dependent Kinase 6 Inhibitory Potential by Selonsertib: Newer Insights Into Drug Repurposing
dc.typearticle
dspace.entity.typePublication
local.avesis.idf77618d7-d912-4c95-ac3b-040251e0f46a
local.publication.goal03 - Sağlık ve Kaliteli Yaşam
relation.isAuthorOfPublication096be806-cf26-4766-b5b4-26f30c593af2
relation.isAuthorOfPublication.latestForDiscovery096be806-cf26-4766-b5b4-26f30c593af2
relation.isGoalOfPublication9c198c48-b603-4e2f-8366-04edcfc1224c
relation.isGoalOfPublication.latestForDiscovery9c198c48-b603-4e2f-8366-04edcfc1224c
Files
Collections
Yayınlar - Eserler