Literature DB >> 20851615

A convenient synthesis and molecular modeling study of novel purine and pyrimidine derivatives as CDK2/cyclin A3 inhibitors.

Abdel-Sattar S Hamad Elgazwy1, Nasser S M Ismail, Heba S A Elzahabi.   

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 IC(50) values of 14±9 and 13±9 μM, respectively. Additionally, compound 15a showed the highest potency (IC(50)=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.
Copyright © 2010 Elsevier Ltd. All rights reserved.

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Year:  2010        PMID： 20851615     DOI： 10.1016/j.bmc.2010.08.033

Source DB:  PubMed          Journal:  Bioorg Med Chem        ISSN： 0968-0896            Impact factor:   3.641


  4 in total

1.  Discovery of pyrazolo[3,4-d]pyrimidine and pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine derivatives as novel CDK2 inhibitors: synthesis, biological and molecular modeling investigations.

Authors:  Ibrahim F Nassar; Mohammed T Abdel Aal; Wael A El-Sayed; Mahmoud A E Shahin; Elsayed G E Elsakka; Mahmoud Mohamed Mokhtar; Maghawry Hegazy; Mohamed Hagras; Asmaa A Mandour; Nasser S M Ismail
Journal:  RSC Adv       Date:  2022-05-17       Impact factor: 4.036

2.  Three-dimensional quantitative structure activity relationship (QSAR) of cytotoxic active 3,5-diaryl-4,5-dihydropyrazole analogs: a comparative molecular field analysis (CoMFA) revisited study.

Authors:  Abdel-Sattar S Hamad Elgazwy; Daliah S Soliman; Saad R Atta-Allah; Diaa A Ibrahim
Journal:  Chem Cent J       Date:  2012-05-30       Impact factor: 4.215

3.  Molecular docking of 1H-pyrazole derivatives to receptor tyrosine kinase and protein kinase for screening potential inhibitors.

Authors:  Vishalakshi Gopalapura Javaregowda; Beeranahally Haruvegowda Doreswamy; Srikantamurthy Ningaiah; Umesha K Bhadraiah; Kempaiah Kemparaju; Mahendra Madegowda
Journal:  Bioinformation       Date:  2014-07-22

4.  Synthesis, biological evaluation, and in silico studies of new CDK2 inhibitors based on pyrazolo[3,4-d]pyrimidine and pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine scaffold with apoptotic activity.

Authors:  Asmaa A Mandour; Ibrahim F Nassar; Mohammed T Abdel Aal; Mahmoud A E Shahin; Wael A El-Sayed; Maghawry Hegazy; Amr Mohamed Yehia; Ahmed Ismail; Mohamed Hagras; Eslam B Elkaeed; Hanan M Refaat; Nasser S M Ismail
Journal:  J Enzyme Inhib Med Chem       Date:  2022-12       Impact factor: 5.756
  4 in total

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