Design, Sequential Synthesis, Kinase Inhibitors Comparative Docking, MD Simulations, 99mTc-Coupling and In-Vivo Studies of Novel Pyrazolopyrimidine Derivatives

Wafaa ZagharyDina AdelBasma M EssaTamer NasrKhaled El-AdlTamer M Sakr2025-04-152025-04-152025-04-10Zaghary, W. A., Adel, D., Mohamed, B., Nasr, T., El-Adl, K., & Sakr, T. M. (2024). Design, sequential synthesis, kinase inhibitors comparative docking, MD simulations, 99mTc-coupling and in-vivo studies of novel pyrazolopyrimidine derivatives. Egyptian Journal of Chemistry, 0(0), 0. https://doi.org/10.21608/ejchem.2024.302958.9979https://doi.org/10.21608/ejchem.2024.302958.9979https://repository.msa.edu.eg/handle/123456789/6380SJR 2024 0.269 Q3 H-Index 36Pyrazolopyrimidine derivative was synthesized and labeled with 99mTc using sodium dithionite as reducing agents. The purity of radiochemical 99mTc(Na2 S2O4 )-compound was 93.4%, and the synthesized complex was stable in vitro for 6 hours. Furthermore, using a radiolabeling technique, a bio-distribution investigation showed that tumor-bearing mice exhibited a remarkable absorption of [99mTc]Tc-complex, with a significant concentration in tumor tissues and a T/NT of 6.58 after 60 minutes after injection. These encouraging results mean that the synthesized compound offers a potential radio-carrier that can be used as a tumor marker and, following additional preclinical research, can be used for cancer therapy. Molecular dynamic simulation confirmed the stability of this compound in the active sites of both EGFR and VEGFR-2 receptors.en-USPyrazolopyrimidinesComparative dockingKinase inhibitors99mTc-couplingTumor imagingMD simulationDesign, Sequential Synthesis, Kinase Inhibitors Comparative Docking, MD Simulations, 99mTc-Coupling and In-Vivo Studies of Novel Pyrazolopyrimidine DerivativesArticlehttps://doi.org/10.21608/ejchem.2024.302958.9979