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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.
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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ISSN:19326203
DOI:10.1371/journal.pone.0350566