Design, Sequential Synthesis, Kinase Inhibitors Comparative Docking, MD Simulations, 99mTc-Coupling and In-Vivo Studies of Novel Pyrazolopyrimidine Derivatives
Zaghary, W., Adel, D., Mohamed, B., Nasr, T., El-Adl, K., sakr, T. (2025). Design, Sequential Synthesis, Kinase Inhibitors Comparative Docking, MD Simulations, 99mTc-Coupling and In-Vivo Studies of Novel Pyrazolopyrimidine Derivatives. EKB Journal Management System, 68(4), 271-284. doi: 10.21608/ejchem.2024.302958.9979
Wafaa Abdou Zaghary; Dina Adel; basma Mohamed; Tamer Nasr; Khaled El-Adl; tamer mostafa sakr. "Design, Sequential Synthesis, Kinase Inhibitors Comparative Docking, MD Simulations, 99mTc-Coupling and In-Vivo Studies of Novel Pyrazolopyrimidine Derivatives". EKB Journal Management System, 68, 4, 2025, 271-284. doi: 10.21608/ejchem.2024.302958.9979
Zaghary, W., Adel, D., Mohamed, B., Nasr, T., El-Adl, K., sakr, T. (2025). 'Design, Sequential Synthesis, Kinase Inhibitors Comparative Docking, MD Simulations, 99mTc-Coupling and In-Vivo Studies of Novel Pyrazolopyrimidine Derivatives', EKB Journal Management System, 68(4), pp. 271-284. doi: 10.21608/ejchem.2024.302958.9979
Zaghary, W., Adel, D., Mohamed, B., Nasr, T., El-Adl, K., sakr, T. Design, Sequential Synthesis, Kinase Inhibitors Comparative Docking, MD Simulations, 99mTc-Coupling and In-Vivo Studies of Novel Pyrazolopyrimidine Derivatives. EKB Journal Management System, 2025; 68(4): 271-284. doi: 10.21608/ejchem.2024.302958.9979

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

Egyptian Journal of Chemistry
Volume 68, Issue 4, April 2025, Page 271-284  XML PDF (1.19 MB)
Document Type: Original Article
DOI: 10.21608/ejchem.2024.302958.9979
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Authors
Wafaa Abdou Zaghary1; Dina Adel2; basma Mohamed3; Tamer Nasr4; Khaled El-Adl email orcid 5; tamer mostafa sakr6
1Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Helwan University, Helwan, Cairo, Egypt.
2Pharmaceutical Chemistry Department, Faculty of Pharmacy, MSA University, Cairo, Egypt
3Radioactive Isotopes and Generator Department, Hot Labs Center, Egyptian Atomic Energy Authority, 13759, Cairo, Egypt
4Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Helwan University, Egypt
5Heliopolis University
6Radioactive Isotopes and Generator Department, Hot Labs Center, Egyptian Atomic Energy Authority, Cairo 13759, Egypt.
Abstract
Pyrazolopyrimidine derivative was synthesized and labeled with 99mTc using sodium dithionite as reducing agents. The purity of radiochemical 99mTc(Na2S2O4)-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.
Keywords
Pyrazolopyrimidines, Comparative docking, Kinase inhibitors, 99mTc-coupling, Tumor imaging; MD simulation
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