Structure-activity relationship study of rutaecarpine analogous active against central nervous system cancer

• Published in: Journal of the Brazilian Chemical Society Vol. 23; no. 12; pp. 2183 - 2190
• Main Authors: Martins, Gabriel R., Napolitano, Hamilton B., Camargo, Lilian T. F. M., Camargo, Ademir J.
• Format: Journal Article
• Language: English
• Published: Sociedade Brasileira de Química 01.12.2012
• Subjects: CHEMISTRY, MULTIDISCIPLINARY; B3LYP; quinazoline-beta-carboline-5-one; central nervous system cancer; rutaecarpine analogous

In order to relate the geometric and electronic descriptors of the rutaecarpine analogous to their biological activity against cancer of the central nervous system (CNS), molecular quantum chemical calculations at B3LYP/6-31(d) level and statistical analysis were carried out for 21 rutaecarpine anal...