Flavonoides como possíveis alvos terapêuticos contra a doença do coronavírus (COVID-19): uma revisão de escopo

• Autor(a) principal: Toigo, Larissa
• Data de Publicação: 2022
• Tipo de documento: Dissertação
• Idioma: por
• Título da fonte: Biblioteca Digital de Teses e Dissertações do UNIOESTE
• Texto Completo: https://tede.unioeste.br/handle/tede/6199
• topic: Coronavírus; Síndrome Respiratória; Plantas medicinais; Bioativos; In sílico; Coronavirus; Respiratory Syndrome; Medicinal Plants; Bioactives; In sílico; Ciências farmacêuticas

This scoping review aims to present the promising effects and possible targets of flavonoid compounds on potential therapeutic targets in the SARS-CoV-2 infection process. The PubMed and Scopus electronic databases were searched for studies that evaluated the performance of substances from the flavonoid class on different viral targets of SARS-CoV-2 infection. The search strategy retrieved 382 articles after deleting duplicates. During the screening process, 265 studies were considered irrelevant. At the end of the full-text evaluation, 37 studies were considered eligible for data extraction and qualitative synthesis. All studies used virtual molecular docking models to verify the affinity of compounds of the flavonoid class with key proteins in the replication cycle of the SARS-CoV-2 virus (Spike protein, PLpro, 3CLpro/MPro, RdRP and host ACE 2 in in silico studies). Studies on Spike protein evaluated a total of 26 different flavonoids, the most promising being: biochanin A (-78.41 kcal/mol); calofilolide and eriodictiol (-7.90 kcal/mol); fisetin (-8.50 kcal/mol); hesperidin (-7.4 kcal/mol); quercetin (-86.22 kcal/mol); luteolin (-7.00 kcal/mol); orientin (-72.30 kcal/mol). In the inhibition of PLpro, quercetin presented binding energies of -10.20 kcal/mol and -7.75 kcal/mol. Hesperidin had a binding energy of -9.40 kcal/mol and luteolin had a binding energy of -6.80 kcal/mol. Among the flavonoids with the potential to inhibit 3CLpro, those with the best results were amentoflavone, baicalein, cyanidin 3-rutinoside, hesperidin, kaempferol, luteolin, narcisoside, naringin, pectolinarin, quercetin and rhoifolin. Narcisoside has the highest binding energy -180.74 kcal/mol, epigallocatechin showed binding energy above -12.90 kcal/mol against RdRP and the most promising flavonoids that inhibit the host ACE 2 receptor were cyanide, delphinidin , orientin, quercetin, silymarin/silibinin (silybin A) and theaflavin monogallate with binding energies ranging from -4.76 kcal/mol to -121.28 kcal/mol. The flavonoids that presented the lowest binding energies and the highest number of targets were orientin, quercetin, epigallocatechin, narcisoside, silymarin, neohesperidin, delphinidin-3,5-diglycoside and delphinidin-3-sambubioside-5- glycoside. These studies allow us to provide a basis for in vitro and in vivo trials to assist in the development of drugs for the treatment and/or prevention of coronavirus disease (COVID-19).