Docking, synthesis and antiproliferative activity of N-acylhydrazone derivatives designed as combretastatin A4 analogues

Resumo

Cancer is the second most common cause of death in the USA. Among the known classes of anticancer agents, the microtubule-targeted antimitotic drugs are considered to be one of the most important. They are usually classified into microtubule-destabilizing (e.g., Vinca alkaloids) and microtubule-stabilizing (e.g., paclitaxel) agents. Combretastatin A4 (CA- 4), which is a natural stilbene isolated from Combretum caffrum, is a microtubule-destabilizing agent that binds to the colchicine domain on b-tubulin and exhibits a lower toxicity profile than paclitaxel or the Vinca alkaloids. In this paper, we describe the docking study, synthesis, antiproliferative activity and selectivity index of the N-acylhydrazone derivatives (5a– r) designed as CA-4 analogues. The essential structural requirements for molecular recognition by the colchicine binding site of b-tubulin were recognized, and several compounds with moderate to high antiproliferative potency (IC50 values # 18 mM and $4 nM) were identified. Among these active compounds, LASSBio-1586 (5b) emerged as a simple antitumor drug candidate, which is capable of inhibiting microtubule polymerization and possesses a broad in vitro and in vivo antiproliferative profile, as well as a better selectivity index than the prototype CA-4, indicating improved selective cytotoxicity toward cancer cells.

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AMARAL, Daniel Nascimento do; CAVALCANTI, Bruno C.; BEZERRA, Daniel P.; FERREIRA, Paulo Michel P.; CASTRO, Rosane de Paula; SABINO, José Ricardo; MACHADO, Camila Maria Longo; CHAMMAS, Roger; PESSOA, Claudia; SANT'ANNA, Carlos M. R.; BARREIRO, Eliezer J.; LIMA, Lídia Moreira. Docking, synthesis and antiproliferative activity of N-acylhydrazone derivatives designed as combretastatin A4 analogues. Plos One, San Francisco, v. 9, n. 3, e85380, 2014.