Softwares in sílico na investigação da toxicidade de nanomateriais: um mapeamento sistemático da literatura

Abstract

Toxicology is the science aimed at understanding the toxic effects of substances and developing strategies to assess and control the associated risks. Some of the goals of scientists include conducting studies to determine the lethal dose of a substance, identifying target organs for toxicity, among others. In this context, technology aids experiments in silico, bringing computational power into laboratories, performing simulations, and providing databases for consultation. This work proposes a systematic mapping of the literature on the toxicological assessment of nanomaterials, presenting the software currently used (in silico), as well as the databases and computational techniques employed, in order to catalog the studies already conducted on the topic and guide future research. The review conducted in the study offered an overview of the in silico tools currently used in the toxicological analysis of nanomaterials, with a focus on the last 5 years. The analysis revealed a diverse range of software and techniques, highlighting the potentials and limitations present in the field.