Zika fever is a viral infection of great relevance in public health, especially in tropic regions, in which there is a predominance of mosquitoes of the genus Aedes, vectors of the disease. Microcephaly in neonatal children and Guillain-Barré syndrome in adults can be caused by the action of the Zika virus (ZIKV). Non-structural proteins, such as NS2B, NS3 and NS5, are important pharmacological targets, due to their action in the life cycle. The absence of anti-Zika drugs raises new research, including prospecting for natural products. This work investigated the in silico antiviral activity of bixin and six other derived molecules against the Zika viral proteins NS2B-NS3 and NS5. The optimized structure was subjected to molecular docking to HIGHLIGHTS• Zika virus non-structural proteins are important pharmacological targets.• Bixin and derived molecules interact with non-structural proteins.• Bixin and ethyl bixin has the potential to interfere with the viral replication mechanism.• Bixin and ethyl bixin an indicative of being a promising anti-Zika agent.

The insertion of irrigated perimeters and the intensive use of pesticides made the Baixo Jaguaribe region one of the most critical areas of agribusiness in Ceará. However, the excessive use of pesticides has been associated with increased cases of premature births, congenital malformations and mainly neoplasms, especially penile cancer. Objective: To characterize in silico the pesticides of the triazine group used in the Jaguaribe-Apodi Irrigated Perimeter in the Baixo Jaguaribe region to investigate the relationship between penile cancer associated with the use of pesticides. Methodology: It was given through molecular modeling using Classical Force Field (MMF94) to obtain more stable structures and physicochemical properties and molecular docking to elucidate the possible inhibition between ligand (triazine)-protein (p53). Results:  The electronic and structural characterization established that the pesticides of the triazine group are soluble and have no rotation, their double bonds are derived from the heterocyclic ring in their conformations and the stability energies are relatively high. Conclusions: Regarding molecular docking, ametryn and atrazine are likely to initiate a carcinogenic response to workers in the Jaguaribe-Apodi Irrigated Perimeter, i.e., penile cancer, while cyromazine ligand shows no interactions with p53 protein; thus, it does not act with inhibitory potency.