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Author

W. A. Eltayb

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Open access Jul 2026

Design, synthesis, molecular docking and molecular dynamics simulations of pyrazolo[3,4-d]pyrimidine scaffolds as selective COX-2 and CDK2 kinase inhibitors with dual anti-inflammatory and anti-proliferative activities

A new series of pyrazolo[3,4-d-d]pyrimidine scaffolds, namely, 4a–l, were designed, synthesized, and tested for anti-inflammatory and anti-proliferative activities and represent promising starting candidates for the development of future CDK2 kinase and COX-2 inhibitors.

Sara Y. Ewieda, Laila Ziko, Ahmed Elshewy et al. · 1 citation
Aug 2026

Elucidating the mechanism of ADAM10/PD-L1 interaction in pancreatic adenocarcinoma cell lines using cellular and computational analyses.

This study elucidates the mechanism of ADAM10/PD-L1 interaction in the pancreatic adenocarcinoma cell line, PANC-1, using cellular assays, molecular docking, and molecular dynamics simulations to elucidate how ADAM10 recognizes and interacts with PD-L1, facilitating its cleavage.

Ahmed M. E. Abdalla, Yu Miao, Yasir A. Taha et al. · 0 citations

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