Browsing by Author "Ramos Aristimbay, María Lisette"

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    Cribado virtual de inhibidores de la enzima Mpro del virus SARS-CoV-2 empleando librerías de compuestos y homología estructural con proteasas de virus patógenos de animales
    (Universidad Técnica de Ambato. Facultad de Ciencia e Ingeniería en Alimentos y Biotecnología. Carrera de Ingeniería Bioquímica, 2021-01) Ramos Aristimbay, María Lisette; García Solís, Mario Daniel
    The purpose of this study is to perform virtual screening of SARS-CoV-2 virus Mpro enzyme inhibitors using compound libraries and structural homology with animal pathogenic virus proteases. In response to the present pandemic the world is going through, caused by COVID-19, so it is of paramount importance to search for compounds, which prevent the spread of SARS-CoV-2, with which medicines can be made to curb the contagions of this disease. Since the main protease Mpro is responsible for carrying out the proteolytic processes during the replication of the virus, it has been selected as a target for the search for molecules that inhibit its activity, thus preventing the virus from continuing to multiply. For this, a homology analysis was performed that could identify that this protease is preserved in several species of coronavirus that infect animals, such as those that cause murine hepatitis, swine transmissible gastroenteritis, feline peritonitis, and avian infectious bronchitis. Which allowed us to look for compounds used to treat these diseases, and to create a library with the most effective ligands. This was able to determine the druggable sites of the enzyme and perform a molecular coupling (docking), identifying ten inhibitors that best bind to Mpro, including Ritonavir, with which, through subsequent in vitro studies, COVID-19 drugs could be generated, and tested in other coronaviruses with which homology exists.