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040 _aEG-GiCUC
_beng
_cEG-GiCUC
041 0 _aeng
049 _aDeposite
097 _aPh.D
099 _aCai01.08.05.Ph.D.2021.Es.D
100 0 _aEsraa Zakaria Mohammed Ragab
245 1 0 _aDesign, synthesis and molecular modeling study of some novel pyrazole derivatives as potential anticancer agents /
_cEsraa Zakaria Mohammed Ragab , Supervised Ghaneya Sayed Hassan , Hanan Hanna Georgey , Riham François George
246 1 5 _aتصميم وتشييد ودراسة النمذجة الجزيئية لبعض مشتقات البيرازول الجديدة ذات فاعلية محتملة كمضادات للأورام
260 _aCairo :
_bEsraa Zakaria Mohammed Ragab ,
_c2021
300 _a207 P . :
_bcharts , facsmilIes ;
_c25cm
502 _aThesis (Ph.D.) - Cairo University - Faculty of Pharmacy - Department of Pharmaceutical Chemistry
520 _aCancer represents one of the main death causes worldwide. Despite the indispensable progress accomplished in cancer treatments, several limitations still exist. Subsequently, the innovation of novel small molecules that are both potent and selective remains a serious challenge to medicinal chemists. This thesis deals with the design and synthesis of some novel pyrazole and pyrazolopyridine derivatives which were evaluated as anticancer agents. In vitro CDK2 enzyme inhibition assay was carried out for all the final compounds. Selectivity profile against a panel of other CDKs isoforms (CDK1, CDK4 and CDK7) was studied for the most promising compounds. Additionally, the uppermost active compounds were investigated for further mechanistic investigation; cell cycle analysis, apoptotic assay, and safety profile assessment. Molecular docking study was carried out to predict the possible binding mode of the newly synthesized compounds with the CDK2 ATP binding site in a trial to explain their observed activity. Moreover, a 2D QSAR model revealed the structural characteristics governing the CDK2 inhibition activity of our target pyrazolopyridine derivatives. Finally, ADMET computational study predicted the pharmacokinetic aspects and toxicity risks for the studied compounds
530 _aIssued also as CD
653 4 _aAnticancer
653 4 _aDiphenyl-1H-pyrazoles
653 4 _apyrazolo[3,4-b]pyridines
700 0 _aGhaneya Sayed Hassan ,
_eSupervisor
700 0 _aHanan Hanna Georgey,
_eSupervisor
700 0 _aRiham François George ,
_eSupervisor
856 _uhttp://172.23.153.220/th.pdf
905 _aAmira
_eCataloger
905 _aNazla
_eRevisor
942 _2ddc
_cTH
999 _c82624
_d82624