A convenient synthesis and molecular modeling study of novel purine and pyrimidine derivatives as CDK2/cyclin A3 inhibitors |
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| Authors: | Abdel-Sattar S. Hamad Elgazwy Nasser S.M. Ismail Heba S.A. Elzahabi |
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| Affiliation: | 1. Department of Chemistry, Faculty of Science, University of Ain Shams, Abbassia 11566, Cairo, Egypt;2. Department of Pharmaceutical Chemistry, Faculty of Pharmacy University of Ain Shams, Abbassia 11566, Cairo, Egypt;3. Department of Pharmaceutical Chemistry, Faculty of Pharmacy (Girls Branch), Al azahar University, Nasser City, Cairo, Egypt |
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| Abstract: | A series of novel purine and pyrimidine derivatives were prepared and biologically evaluated for their in vitro anti-CDK2/cyclin A3 and antitumor activities in Ehrlich ascites carcinoma (EAC) cell based assay. The novel purine derivatives 13a,b demonstrated potent inhibitor activities with IC50 values of 14 ± 9 and 13 ± 9 μM, respectively. Additionally, compound 15a showed the highest potency (IC50 = 10 ± 6 μM) in EAC cell based assay. Molecular modeling study, including fitting to a 3D-pharmacophore model and their docking into cyclin dependant kinase2 (CDK2) active site showed high fit values and docking scores. |
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