Rocio Virus Encephalitis: In Silico Evidence for Drug Repurposing

Arboviral diseases have a high incidence in Brazil and constitute serious public health problem. Rocio virus (ROCV) is an arbovirus belonging to the family Flaviviridae. It was responsible for emergence of outbreak encephalitis on São Paulo state coast late 1970s. Although no recent case this has been reported, data suggest circulation ROCV throughout Brazilian territory. Given these indications strong presence fundamental factors resurgence emerging Brazil, we conducted study using virtual screenings identify targets therapeutic molecules that could be redirected fight infections related ROCV. Herein, demonstrated National List Essential Medicines Unified Health System (SUS) several combat flavivirus, namely simeprevir, daclatasvir, iloprost, itraconazole. Among them, itraconazole found interesting candidate since it interacts with both structural nonstructural proteins binder NS1 protein, as confirmed by molecular simulations.