Molecular entities search and optimization with potential application in the treatment of SARS-CoV-2 infections
based on evolutionary information of relevant viral targets.
Through evolutionary and structural approaches, this project aims to integrate different bioinformatics techniques to elucidate key proteins responsible for the general pathogenic mechanisms of coronaviruses. The goal is to identify potential molecules that can reduce infection or alleviate symptoms caused by these viruses. Given the increasing availability of data in public databases due to the ongoing SARS-CoV-2 (Severe Acute Respiratory Syndrome Coronavirus 2) pandemic, a search for viral protein structures will be conducted in these databases. Computational analysis of these structures will help infer relevant proteins involved in viral replication and infection mechanisms. Key regions in these proteins that allow binding and interaction with molecules will be identified. The project aims to uncover potential molecules that can inhibit the pathogenic mechanisms of coronaviruses. This study presents a comprehensive approach where the expected results can apply to the current situation and future Coronaviridae viruses.