ANTI-CANCER PROPERTIES OF BENZOPHENANTHRIDINE ALKALOIDS FROM Zanthoxylum genus - in silico EVIDENCE

Abstract

Cancer is a group of diseases characterized by irregularities in cell growth, which lack the reproductive control required by their original function. Despite efforts, most currently used cytotoxic drugs have various adverse effects on patients, thus new candidates in cancer therapy are urgently needed. Benzophenanthridine alkaloids are the main metabolites of the genus Zanthoxylum (Rutaceae), species distributed worldwide in almost all regions. Alkaloids have various proven biological activities such as antibacterial, antiviral, antifungal and cytotoxic. However, in many cases the available sample quantities are not feasible to carry out multiple tests or they are very expensive due to their complexity. In this sense, computationally assisted rational drug design is a useful tool to predict the properties of molecules. This work reports the use of the free web platform PASS (Prediction of Activity Spectra of Substances) to explore the antineoplastic activity of 32 alkaloid structures as well as the mechanisms of action involved. The results obtained show that these molecules can activate the apoptotic cascade as well as inhibit key genes in oncogenesis, suggesting them as possible candidates for future in vitro studies. © 2022 Laboratorios Mixim S.A. de C.V.. All rights reserved.