Molecular modeling of highly selective CDK1 Inhibitors based on pyrazolo-pyrimidines using 3D-QSAR, docking, and molecular dynamics simulations.
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| Title: | Molecular modeling of highly selective CDK1 Inhibitors based on pyrazolo-pyrimidines using 3D-QSAR, docking, and molecular dynamics simulations. |
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| Authors: | Tahir, Muhammad Afaq1,2 (AUTHOR), Chohan, Tahir Ali1 (AUTHOR) tahir.chohan@uvas.edu.pk, Qayyum, Aisha3 (AUTHOR) aisha.qayyum86@gmail.com, Yahya Abdullah Alzahrani, Abdullah4 (AUTHOR), R. Alzahrani, Abdullah5 (AUTHOR), Ur Rehman, Zia6,7 (AUTHOR), Khan, Abida8 (AUTHOR), Ashfaq, Khuram9 (AUTHOR) khuram.ashfaq@uvas.edu.pk |
| Source: | PLoS ONE. 6/22/2026, Vol. 21 Issue 6, p1-26. 26p. |
| Database: | Academic Search Ultimate |
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| FullText | Links: – Type: pdflink Text: Availability: 1 |
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| Header | DbId: asn DbLabel: Academic Search Ultimate An: 194756493 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Molecular modeling of highly selective CDK1 Inhibitors based on pyrazolo-pyrimidines using 3D-QSAR, docking, and molecular dynamics simulations. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Tahir%2C+Muhammad+Afaq%22">Tahir, Muhammad Afaq</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Chohan%2C+Tahir+Ali%22">Chohan, Tahir Ali</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> tahir.chohan@uvas.edu.pk</i><br /><searchLink fieldCode="AR" term="%22Qayyum%2C+Aisha%22">Qayyum, Aisha</searchLink><relatesTo>3</relatesTo> (AUTHOR)<i> aisha.qayyum86@gmail.com</i><br /><searchLink fieldCode="AR" term="%22Yahya+Abdullah+Alzahrani%2C+Abdullah%22">Yahya Abdullah Alzahrani, Abdullah</searchLink><relatesTo>4</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22R%2E+Alzahrani%2C+Abdullah%22">R. Alzahrani, Abdullah</searchLink><relatesTo>5</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Ur+Rehman%2C+Zia%22">Ur Rehman, Zia</searchLink><relatesTo>6,7</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Khan%2C+Abida%22">Khan, Abida</searchLink><relatesTo>8</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Ashfaq%2C+Khuram%22">Ashfaq, Khuram</searchLink><relatesTo>9</relatesTo> (AUTHOR)<i> khuram.ashfaq@uvas.edu.pk</i> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22PLoS+ONE%22">PLoS ONE</searchLink>. 6/22/2026, Vol. 21 Issue 6, p1-26. 26p. |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=asn&AN=194756493 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1371/journal.pone.0350566 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 26 StartPage: 1 Titles: – TitleFull: Molecular modeling of highly selective CDK1 Inhibitors based on pyrazolo-pyrimidines using 3D-QSAR, docking, and molecular dynamics simulations. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Tahir, Muhammad Afaq – PersonEntity: Name: NameFull: Chohan, Tahir Ali – PersonEntity: Name: NameFull: Qayyum, Aisha – PersonEntity: Name: NameFull: Yahya Abdullah Alzahrani, Abdullah – PersonEntity: Name: NameFull: R. Alzahrani, Abdullah – PersonEntity: Name: NameFull: Ur Rehman, Zia – PersonEntity: Name: NameFull: Khan, Abida – PersonEntity: Name: NameFull: Ashfaq, Khuram IsPartOfRelationships: – BibEntity: Dates: – D: 22 M: 06 Text: 6/22/2026 Type: published Y: 2026 Identifiers: – Type: issn-print Value: 19326203 Numbering: – Type: volume Value: 21 – Type: issue Value: 6 Titles: – TitleFull: PLoS ONE Type: main |
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