QSAR analysis on β-carboline as antitumor agent

Résumé fourni par la source

A quantitative structure activity relationship (QSAR) study on β-Carboline derivatives as an anti-tumor agent was performed with 30 compounds of β-Carboline derivatives on different cancer cell lines from reported work. Molecular modeling studies were performed using ChemBioDraw Ultra 11.0. The sketched structures were subjected to energy minimization and the lowest energy structure was used to calculate the physiochemical properties. The regression analysis was carried out using a computer program called Valstat. The best models were selected from the various statistically signiÞ cant equations. From the derived QSAR model, it can be concluded that the cytotoxic activity of β-carboline derivatives is strongly ins uenced by the thermodynamic and electronic nature of the substituents. Key words: Anti-tumor agent, β-carboline, QSAR.

Ce résumé expose les affirmations des auteurs. BNTIC ne l’interprète pas comme une validation indépendante des résultats.