Author

Mohamed Fares

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Open access Aug 2026

Targeting CDK‐2 With Novel Indole‐Pyrazole Hybrids: Discovery of Potent Anticancer Agents Supported by Mechanistic and In Silico Studies

The consistent binding of compound 5 d within the ATP‐binding pocket of CDK‐2 was confirmed by molecular docking and molecular dynamics simulations, and attractive drug‐like and pharmacokinetic features, similar to those of Roscovitine, were demonstrated by in silico ADMET predictions.

Wagdy M. Eldehna, Zainab M. Elsayed, Mohamed R. Elnagar et al. · Drug development research (P... · 0 citations

Open access Aug 2026

1-Butylindoline-2,3-dione derivatives as potent VEGFR-2 inhibitors: synthesis, mechanistic anticancer studies, and molecular dynamics simulations

Compound 6b is identified as a promising lead candidate for further development as a VEGFR-2-targeted anticancer agent and stable backbone behavior, regulated ligand fluctuations, preserved structural compactness, and sustained hydrogen bonding within the 6b-VEGFR-2 complex are identified.

Mohamed El-Naggar, Hend I Abdelaal, Mohamed E Albakri et al. · RSC Advances · 0 citations