<?xml version="1.0" encoding="ISO-8859-1"?><article xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance">
<front>
<journal-meta>
<journal-id>2007-3380</journal-id>
<journal-title><![CDATA[Revista bio ciencias]]></journal-title>
<abbrev-journal-title><![CDATA[Revista bio ciencias]]></abbrev-journal-title>
<issn>2007-3380</issn>
<publisher>
<publisher-name><![CDATA[Universidad Autónoma de Nayarit]]></publisher-name>
</publisher>
</journal-meta>
<article-meta>
<article-id>S2007-33802023000100405</article-id>
<article-id pub-id-type="doi">10.15741/revbio.10.e1395</article-id>
<title-group>
<article-title xml:lang="en"><![CDATA[Evaluation of bioactive compounds from medicinal plants used in Mexico, to predict potential SARS-CoV-2 inhibitors: Analysis between two molecular docking servers.]]></article-title>
<article-title xml:lang="es"><![CDATA[Evaluación de compuestos bioactivos de plantas de uso medicinal en México, para predecir posibles inhibidores del SARS-CoV-2: análisis entre dos servidores de acoplamiento molecular.]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Cárdenas-Hernández]]></surname>
<given-names><![CDATA[E.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
<xref ref-type="aff" rid="Aaf"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Velázquez-Medina]]></surname>
<given-names><![CDATA[E.G.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Aguirre-Joya]]></surname>
<given-names><![CDATA[J. A.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Aguillón-Gutiérrez]]></surname>
<given-names><![CDATA[D. R.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Pedroza-Escobar]]></surname>
<given-names><![CDATA[D.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Ramírez-Guzmán]]></surname>
<given-names><![CDATA[N.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Aguilar]]></surname>
<given-names><![CDATA[C. N.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Torres-León]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,Universidad Autónoma de Coahuila Facultad de Ciencias Químicas ]]></institution>
<addr-line><![CDATA[Saltillo Coahuila]]></addr-line>
<country>Mexico</country>
</aff>
<aff id="Af2">
<institution><![CDATA[,Universidad Autónoma de Coahuila Centro de Investigación y Jardín Etnobiológico ]]></institution>
<addr-line><![CDATA[Viesca Coahuila]]></addr-line>
<country>Mexico</country>
</aff>
<aff id="Af3">
<institution><![CDATA[,Universidad Autónoma de Coahuila Centro de Investigación Biomédica Departamento de Bioquímica]]></institution>
<addr-line><![CDATA[Torreón Coahuila]]></addr-line>
<country>Mexico</country>
</aff>
<aff id="Af4">
<institution><![CDATA[,Universidad Autónoma de Coahuila Centro de Investigación y Estudios Interdisciplinados. ]]></institution>
<addr-line><![CDATA[Arteaga Coahuila]]></addr-line>
<country>Mexico</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>00</month>
<year>2023</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>00</month>
<year>2023</year>
</pub-date>
<volume>10</volume>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_arttext&amp;pid=S2007-33802023000100405&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_abstract&amp;pid=S2007-33802023000100405&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_pdf&amp;pid=S2007-33802023000100405&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="en"><p><![CDATA[ABSTRACT Plants traditionally used for medicinal use could be an alternative against SARS-CoV-2. In this study, the binding energy of 10 bioactive compounds of plants 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 binding energy towards Mpro and RdRp proteins with respect to Remdesivir. The comparison of molecular docking servers showed differences in the docking motors and proteins available on each server. The bioactive compounds evaluated can act as potential inhibitors against Mpro and RdRp proteins of COVID-19, according to in silico molecular docking.]]></p></abstract>
<abstract abstract-type="short" xml:lang="es"><p><![CDATA[RESUMEN Las plantas utilizadas en la medicina tradicional podrían ser una alternativa frente al SARS-CoV-2. En este estudio se evaluó la energía de unión de los bioactivos de 10 plantas de uso en México contra la COVID-19 mediante acoplamiento molecular con dos servidores que están disponibles en línea: COVID-19 Docking Server y DockThor. Remdesivir se usó como control. Los resultados mostraron que Cypellocarpin B, Cypellocarpin C, Luteolin 7-glucoside y Syringetin glucopyranoside mostraron la mayor afinidad hacia las proteínas Mpro y RdRp con respecto a Remdesivir. La comparación de los servidores de acoplamiento molecular mostró diferencias en los motores de acoplamiento y las proteínas disponibles en cada servidor. Los compuestos bioactivos evaluados son capaces de actuar como inhibidores potenciales frente a las proteínas Mpro y RdRp de COVID-19 según el acoplamiento molecular in silico.]]></p></abstract>
<kwd-group>
<kwd lng="en"><![CDATA[compounds]]></kwd>
<kwd lng="en"><![CDATA[Molecular docking]]></kwd>
<kwd lng="en"><![CDATA[DockThor]]></kwd>
<kwd lng="en"><![CDATA[COVID-19]]></kwd>
<kwd lng="en"><![CDATA[SARS-CoV-2]]></kwd>
<kwd lng="es"><![CDATA[Compuestos fenólicos]]></kwd>
<kwd lng="es"><![CDATA[Acoplamiento molecular]]></kwd>
<kwd lng="es"><![CDATA[DockThor]]></kwd>
<kwd lng="es"><![CDATA[COVID-19]]></kwd>
<kwd lng="es"><![CDATA[SARS-CoV-2]]></kwd>
</kwd-group>
</article-meta>
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