a Departamento de Química Fundamental, Universidade Federal de Pernambuco, 50960-910, Recife, PE, Brazil
b Centro Brasileiro de Pesquisas Físicas—CBPF/MCT, Rua Dr. Xavier Sigaud, 150-Urca, 22290-180, Urca, Rio de Janeiro, Brazil
Abstract:
Considering a DNA to carcinogen electron transfer mechanism for the carcinogenesis process whereas carcinogens react as a electrophilic and DNA as nucleophilic species we propose that the cancer protecting compounds will compete with the DNA for the donation of the electron for the carcinogens. In this work, theoretical calculations of several compounds with well-known protecting activity are performed. The results were treated by a multivariant analysis (principal component analysis) in order to relate the calculated electronic parameters with the protecting activities.