Structure-based design of potent pyrazolo[1,5- a ]pyrimidine CDK4/6 inhibitors: biological evaluation and computational validation

Faizah A. Binjubair; Mahmoud S. Elkotamy; Amr A. Mattar; Bjad K. Almutairy; Sara T. Al‐Rashood; Mohamed M. Eldesouki; Jalloul Bouajila; Hatem A. Abdel-Aziz; Mariam M. Fakhry

doi:10.1039/d5md01147g

January 1, 2026RSC Medicinal Chemistry

Structure-based design of potent pyrazolo[1,5- a ]pyrimidine CDK4/6 inhibitors: biological evaluation and computational validation

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Key Points

The aim is to develop effective CDK4/6 inhibitors targeting cancer cell proliferation.
Utilized structure-based design for inhibitor development
Conducted biological evaluations in HCT-116 cells to assess efficacy
Performed molecular docking and dynamics studies for computational validation
Inhibitor 19i effectively induced G1 cell-cycle arrest
Promoted apoptosis in HCT-116 cells
Demonstrated adequate enzymatic inhibition through studies

Implication

Structure-based design identifies a potent CDK4/6 inhibitor, inducing cell-cycle arrest in cancer cells, suggesting potential therapeutic use.

Abstract

Structure-based design yielded potent CDK4/6 inhibitor 19i, inducing G1 cell-cycle arrest and apoptosis in HCT-116 cells, supported by enzymatic inhibition and molecular docking/dynamics studies.

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Cite This Study

Binjubair et al. (2026) studied this question.

synapsesocial.com/papers/69e864c46e0dea528dde97d3 https://doi.org/10.1039/d5md01147g

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Structure-based design of potent pyrazolo[1,5- a ]pyrimidine CDK4/6 inhibitors: biological evaluation and computational validation

Key Points

Implication

Abstract

Discussion

Cite This Study

Structure-based design of potent pyrazolo[1,5- a ]pyrimidine CDK4/6 inhibitors: biological evaluation and computational validation

Key Points

Implication

Abstract

Discussion

Cite This Study

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