Background: Novel bis(1,4-dihydropyridine) derivatives linked to arene core via ester 5-
7 as well as ether linkages 10-12 were prepared, and their structures were confirmed by several
spectral tools. They were evaluated as anticancer agents on A549 and MCF7 cell lines by SRB assay
and as antibacterial agents on two gram-positive and two gram-negative bacterial strains by disc
Methods: SRB assay shows that the novel compounds are more effective against lung carcinoma
than human breast cancer. Compound 7 was found to be the most active compound toward A549
cell line with an IC50 value (30.7µM), while compound 12 showed great efficiency against MCF7
cell line recording an IC50 value (46.3µM). The computational studies enabled us to understand the
mechanism of action of these compounds. Compound 7 was chosen for molecular docking studies
on xIAP and cIAP1 proteins using MOE-2009.10 software, and the results obtained show that
compound 7 bound to xIAP and cIAP1 with good energy score (S = -22.0356 Kcal/mol
and -21.3381Kcal/mol), respectively.
Results: With respect to the antibacterial activity, compound 12 exhibited great efficiency against
the bacterial strains and hence it was used in the docking study on β-ketoacyl-ACPsynthaseIII
Conclusion: The results showed good interaction of compound 12 with fabH (with energy score
S = -22.8975 kcal/mol).