A Promising Anti-Cancer and Anti-Oxidant Agents Based on the Pyrrole and Fused Pyrrole: Synthesis, Docking Studies and Biological Evaluation
Samar Said Fatahala,
Emad Ahmed Shalaby,
Shaymaa Emam Kassab,
Mossad Said Mohamed.
A series of N-aryl derivatives of pyrrole and its related derivatives of fused form (namely;
tetrahydroindole and dihydroindenopyrroles) were prepared in fair to good yields. The newly synthesized
compounds were confirmed using IR, 1H NMR, Mass spectral and elemental analysis. Tetrahydrobenzo[b]
pyrroles Ia-d, 1,4-dihydroindeno[1,2-b]pyrroles IIa,b and pyrroles IIIa-c,e were evaluated for anticancer activity,
coinciding with the antioxidant activity; using Di-Phenyl Picryl Hydrazyl (DPPH) tests. The cytotoxicity of the
tested compounds (at a concentration of 100 and 200 μg /mL) was performed against HepG-2 and EACC cell lines.
Compounds Ib, d and IIa showed promising antioxidant activity beside their anticancer activity. Docking studies were employed to
justify the promising anticancer activity of Ib,d and IIa. Protein kinase (PKase)-PDB entry 1FCQ was chosen as target enzyme for this
purpose using the MOLSOFT ICM 3.4-8C program. The docking results of the tested compounds went aligned with the respective
anticancer assay results.
Keywords: Anticancer, antioxidant, docking, pyrrole, structure-activity-relationship, synthesis.
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