Novel coumarin derivatives: Synthesis, anti-breast cancer activity and docking study

Article type: Research Article

Authors: Han, Hao^a | Zhang, Zhi-Fang^b | Zhang, Jun-Fei^c | Zhang, Bin^{a; c; *}

Affiliations: [a] Inner Mongolia University For The Nationlities, Tongliao, Inner Mongolia Autonomous Region, China | [b] Department of Nursing, Tongliao City Hospital, Tongliao, Inner Mongolia Autonomous Region, China | [c] The First Affiliated Hospital of Inner Mongolia University For The Nationlities, Tongliao, Inner Mongolia Autonomous Region, China

Correspondence: [*] Corresponding author: Bin Zhang, The First Affiliated Hospital of Inner Mongolia University For The Nationlities, Tongliao, Inner Mongolia Autonomous Region, China. E-mail: [email protected].

Abstract:  A series of coumarin derivatives (1–9) were synthesized with the aim of using them as anticancer agents in clinical trials, and their structures were characterized by IR, 1H NMR, HRMS, and single crystal X-ray crystallography. Their anticancer activity against four human breast cancer cells including MDA-MB-231, MDA-MB-468, Hst578 and HCC1937 were evaluated in vitro using the MTT assay, and the results showed that compounds 1–3 had more efficient anticancer activity against the four cancer cells, however compounds 4–9 did not show any inhibition. Furthermore, molecular docking studies supported the biological assay data and suggested that compounds 1–3 may be potential anticancer agents.

Keywords: Coumarin, X-ray crystallography, cancer cell, molecular docking

DOI: 10.3233/MGC-180682

Journal: Main Group Chemistry, vol. 18, no. 2, pp. 71-79, 2019