In silico screening for potential inhibitors from the phytocompounds of Carica papaya against Zika virus NS5 protein

Background: The Zika virus (ZIKV) infection has emerged as a global health threat. The causal reasoning is that linked to the development of microcephaly in newborns and Guillain-Barré syndrome adults. With no clinically approved antiviral treatment for ZIKV, need potential inhibitors against essential. In this study, we aimed screen phytochemicals from papaya (Carica L.) NS5 protein domains ZIKV. Methods: Approximately 193 an online database (IMPACT) were subjected molecular docking using AutoDock Vina NS5-MTase domain (5WXB) -RdRp (5UO4). Results: Our results showed β-sitosterol, carpaine, violaxanthin, pseudocarpaine, Δ7-avenasterols, Rutin, cis-β-carotene had highest binding affinity both domains, with β-sitosterol having most favorable energy. Furthermore, ADME analysis revealed selected compounds good pharmacokinetic properties nontoxic. Conclusions: findings suggest papaya-derived could be candidates developing drugs ZIKV. However, further experimental studies cell lines in vivo models are needed validate their efficacy safety.