Cristian Torres León, Eliseo Cárdenas-Hernández, Erika G. Velazquez-Medina, J. A. Aguirre-Joya, D. Aguillón-Gutiérrez, D. Pedroza-Escobar, Nathiely Ramírez‐Guzmán, Cristóbal N. Aguilar, Cristian Torres‐León
{"title":"评估墨西哥植物的生物活性化合物，以预测潜在的SARS-CoV-2抑制剂:两个分子对接服务器之间的分析","authors":"Cristian Torres León, Eliseo Cárdenas-Hernández, Erika G. Velazquez-Medina, J. A. Aguirre-Joya, D. Aguillón-Gutiérrez, D. Pedroza-Escobar, Nathiely Ramírez‐Guzmán, Cristóbal N. Aguilar, Cristian Torres‐León","doi":"10.15741/revbio.10.e1395","DOIUrl":null,"url":null,"abstract":"Plants traditionally used for their antiviral activity could be an alternative against SARS-CoV-2. In this study, the efficacy of 10 bioactive plant compounds commonly used in Mexico against COVID-19 was evaluated by molecular docking with two online servers: COVID-19 Docking Server and DockThor. Remdesivir was used as a control. The results showed that Cypellocarpin B, Cypellocarpin C, Luteolin 7-glucoside and Syringetin glucopyranoside showed the highest affinity towards viral proteins Mpro and RdRp respect to Remdesivir. Comparison of molecular docking servers showed differences in the docking motors and proteins available on each server. The use of bioactive compounds represents an alternative for the treatment of patients with COVID-19.","PeriodicalId":41763,"journal":{"name":"Revista Bio Ciencias","volume":" ","pages":""},"PeriodicalIF":0.5000,"publicationDate":"2023-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Evaluation of bioactive compounds of plants used in Mexico, to predict potential SARS-CoV-2 inhibitors: Analysis between two molecular docking servers\",\"authors\":\"Cristian Torres León, Eliseo Cárdenas-Hernández, Erika G. Velazquez-Medina, J. A. Aguirre-Joya, D. Aguillón-Gutiérrez, D. Pedroza-Escobar, Nathiely Ramírez‐Guzmán, Cristóbal N. Aguilar, Cristian Torres‐León\",\"doi\":\"10.15741/revbio.10.e1395\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Plants traditionally used for their antiviral activity could be an alternative against SARS-CoV-2. In this study, the efficacy of 10 bioactive plant compounds commonly used in Mexico against COVID-19 was evaluated by molecular docking with two online servers: COVID-19 Docking Server and DockThor. Remdesivir was used as a control. The results showed that Cypellocarpin B, Cypellocarpin C, Luteolin 7-glucoside and Syringetin glucopyranoside showed the highest affinity towards viral proteins Mpro and RdRp respect to Remdesivir. Comparison of molecular docking servers showed differences in the docking motors and proteins available on each server. The use of bioactive compounds represents an alternative for the treatment of patients with COVID-19.\",\"PeriodicalId\":41763,\"journal\":{\"name\":\"Revista Bio Ciencias\",\"volume\":\" \",\"pages\":\"\"},\"PeriodicalIF\":0.5000,\"publicationDate\":\"2023-01-10\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Revista Bio Ciencias\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.15741/revbio.10.e1395\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"BIOLOGY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Revista Bio Ciencias","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.15741/revbio.10.e1395","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"BIOLOGY","Score":null,"Total":0}
Evaluation of bioactive compounds of plants used in Mexico, to predict potential SARS-CoV-2 inhibitors: Analysis between two molecular docking servers
Plants traditionally used for their antiviral activity could be an alternative against SARS-CoV-2. In this study, the efficacy of 10 bioactive plant compounds commonly used in Mexico against COVID-19 was evaluated by molecular docking with two online servers: COVID-19 Docking Server and DockThor. Remdesivir was used as a control. The results showed that Cypellocarpin B, Cypellocarpin C, Luteolin 7-glucoside and Syringetin glucopyranoside showed the highest affinity towards viral proteins Mpro and RdRp respect to Remdesivir. Comparison of molecular docking servers showed differences in the docking motors and proteins available on each server. The use of bioactive compounds represents an alternative for the treatment of patients with COVID-19.
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