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Abstract

DOCKING, SYNTHESIS AND BIOLOGICAL EVALUATION OF NOVEL PYRAZOLINE DERIVATIVES AS POTENTIAL ANTIMICROBIAL AND ANTITUMOR AGENTS

Zakaria K. Abdel-Samii, Hanan A. Abdel- Fattah*, Amany M. Al-Mahmoudy and Elsayed M. Mahmoud

ABSTRACT

Novel pyrazoline derivatives 4a-g , 5a-g , 8a-c , 9a-c and10a-c have been synthesized starting from new α,β-unsaturated ketones 3a-g and 7a-c .All the newly synthesized compounds have been characterized on the basis of IR,1HNMR,Mass spectrometry,some representative 13CNMR and microanalysis as well as physical data. Some of the newly synthesized compounds were evaluated for their in vitro antimicrobial and antitumor activities.The antimicrobial activity was screened against the organisms Escherichia coli as Gram-negative bacteria, Streptococcus pneumoniae and Staphylococcus aureus as Gram-positive bacteria and Aspragillus fumigatus and Candida albicans as fungi.The best performance was found for the compounds 3g,4b,4e,4f, 5d,8c,10b and 10c. MIC values of all the active compounds were comparable with the standard drug.Where compounds 3g and 4e showed the highest antibacterial activity but compounds 10b and 10c exhibited the most potent antifungal activity.The antitumor activity was investigated against human breast carcinoma(MCF- 7) and colon carcinoma (HCT-116),Imatinib was used as positive control.Among the tested compounds 4c and 5c displayed promising cytotoxic effect against breast (MCF- 7) and colon (HCT-116) cell lines.Molecular docking studies were performed to further support the highest potency of compounds 4c and 5c against breast and colon cell lines.

Keywords: Docking, Synthesis, Chalcones, Pyrazolines, Pyridine, antimicrobial, antitumor activities.


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