Synthesis and Experimental Validation of New Designed Heterocyclic Compounds with Antiproliferative Activity versus Breast Cancer Cell Lines MCF-7 and MDA-MB-231
Table 1
Molecular structures, in vitro activity on MCF-7 and MDA-MB-231 cell lines, and in silico activity values for the ten selected compounds and 5-FU. Activity values expressed as .
Molecule name
Molecular structure
MCF7 experimental activity log GI50/µM ± SD
MDA-MB-231 experimental activity log GI50/µM ± SD
Predicted activity versus MCF7
Pyrimidinketone 2A
−5.20 ± 0.7
−4.8 ± 0.4
−6.08
Quinoline 7B
−4.80 ± 0.6
−4.3 ± 0.5
−6.72
Pyrimidinketone 2B
−4.90 ± 0.8
−4.6 ± 0.3
−6.21
✗ LCAPs 8A
>−4.00
−6.86
✗ Quinoline 7A
>−4.00
−4.8
−6.83
Indole 2B
>−4.00
−4.6 ± 0.6
−3.83
Pyrimidinketone 3B
>−4.00
NA
−4.00
Indole 3E
>−4.00
>−4.00
−3.70
Indole 3D
>−4.00
>−4.00
−4.00
Pyrimidinketone 2D
>−4.00
>−4.00
−4.00
5-FU
−5.40 ± 0.7
−5.1 ± 0.4
—
Each value represents the mean ± SD of six to eight wells. NA, not available.
