Author(s)

Ouattara Mahama^1*, Koné Aboudramane², Koné Soleymane³, Collet Sylvain⁴, Diomandé Sekou³, Sissouma Drissa³

¹Department of Therapeutic Chemistry and Organic Chemistry, UFR SPB, FHB University, Abidjan, Côte d’Ivoire.
²Department of Chemistry, UFR Environment, Jean LorougnonGuédé University, Daloa, Côte d’Ivoire.
³Laboratory of Organic Chemistry and Natural Substances, UFR SSMT, FHB University, Abidjan, Côte d’Ivoire.
⁴Chemistry and Interdisciplinarity: Synthesis, Analysis, Modelling (CEISAM), University of Nantes, Nantes, France.

The present pharmacochemical and modelling work focused on a benzimidazolyl-chalcone series. These previously synthesized compounds were evaluated in vitro for their anticancer activities against a panel of seven human cancer cell lines and normal fibroblasts. Among the new benzimidazole-supported chalcones, nine (9) compounds (compounds 1 - 4, 6 - 8 and compounds 10 and 11) showed promising anticancer activities with IC₅₀s ranging from 0.83 to 2.58 μM. Compounds 2 and 6 with IC₅₀s of 0.83 and 0.86 μM, respectively, were shown to be potent inhibitors of HCT-116 colon cancer cell proliferation. It was therefore necessary, for a development of this new series of chalcones, to establish through a QSAR study, their quantum descriptors according to the DFT calculation method and following the B3LYP/6-31+G (d,p) theory. These descriptive and predictive studies focused on the colon HCT 116 cell line which was found to be more sensitive to the anticancer action of our benzimidazolyl-retrochalcones. QSAR study showed that the electronic energy (E_elec), lipophilicity (logP), chemical softness (S) and chemical hardness (η) of benzimidazolyl-retrochalcones play an important role in inhibiting cancer cell proliferation.

Retrochalcone, Benzimidazole, Anticancer Agents, QSAR, Quantum Descriptors, DFT Method

Mahama, O. , Aboudramane, K. , Soleymane, K. , Sylvain, C. , Sekou, D. and Drissa, S. (2020) Anticancer Activities and QSAR Study of Novel Agents with a Chemical Profile of Benzimidazolyl-Retrochalcone. Open Journal of Medicinal Chemistry, 10, 113-127. doi: 10.4236/ojmc.2020.103006.