<?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>1665-1456</journal-id>
<journal-title><![CDATA[Biotecnia]]></journal-title>
<abbrev-journal-title><![CDATA[Biotecnia]]></abbrev-journal-title>
<issn>1665-1456</issn>
<publisher>
<publisher-name><![CDATA[Universidad de Sonora, División de Ciencias Biológicas y de la Salud]]></publisher-name>
</publisher>
</journal-meta>
<article-meta>
<article-id>S1665-14562025000100123</article-id>
<article-id pub-id-type="doi">10.18633/biotecnia.v27.2485</article-id>
<title-group>
<article-title xml:lang="en"><![CDATA[Binding affinities analysis of ivermectin, nucleocapsid and ORF6 proteins of SARS-CoV-2 to human importins &#945; isoforms: A computational approach]]></article-title>
<article-title xml:lang="es"><![CDATA[Análisis de las afinidades de unión de la ivermectina, las proteínas nucleocápside y ORF6 del SARS-CoV-2 a las isoformas de las importinas &#945; humanas: Un enfoque computacional]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Gayozo]]></surname>
<given-names><![CDATA[Elvio]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
<xref ref-type="aff" rid="Aaf"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Rojas]]></surname>
<given-names><![CDATA[Laura]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
<xref ref-type="aff" rid="Aaf"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Barrios]]></surname>
<given-names><![CDATA[Julio]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,National University of Asunción Faculty of Exact and Natural Sciences Department of Biology]]></institution>
<addr-line><![CDATA[San Lorenzo ]]></addr-line>
<country>Paraguay</country>
</aff>
<aff id="Af2">
<institution><![CDATA[,National University of Asunción Faculty of Chemical Sciences Department of Industrial Microbiology]]></institution>
<addr-line><![CDATA[San Lorenzo ]]></addr-line>
<country>Paraguay</country>
</aff>
<aff id="Af3">
<institution><![CDATA[,National University of Asunción Health Sciences Research Institute ]]></institution>
<addr-line><![CDATA[San Lorenzo ]]></addr-line>
<country>Paraguay</country>
</aff>
<aff id="Af4">
<institution><![CDATA[,Grupo de Investigación en Toxicología, Genética y Bioinformática (GITGeBio) Faculty of Exact and Natural Sciences ]]></institution>
<addr-line><![CDATA[San Lorenzo ]]></addr-line>
<country>Paraguay</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>12</month>
<year>2025</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>12</month>
<year>2025</year>
</pub-date>
<volume>27</volume>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_arttext&amp;pid=S1665-14562025000100123&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_abstract&amp;pid=S1665-14562025000100123&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_pdf&amp;pid=S1665-14562025000100123&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="en"><p><![CDATA[Abstract Ivermectin has been shown in vitro that reduces SARS-CoV-2 replication in infected cells through interactions with importins &#945;, however, the exact mechanism of action is still unknown. The objective of this study was to analyze binding affinities of ivermectin, SARS-CoV-2 nucleocapsid (N) and ORF6 proteins, to isoforms of human importins &#945; using molecular docking methods. Crystallized structures of importins &#945; from Protein Data Bank (PDB) and AlphaFold Protein Structure Database were used, viral proteins were modeled using AlphaFold 2. Molecular docking simulations were performed between human importin &#945; isoforms, ivermectin, N and ORF6 proteins, employing Broyden-Fletcher-Goldfarb-Shanno, FTDock and pyDockRST algorithms. Obtained data evidenced that viral proteins of SARS-CoV-2 and ivermectin showed favorable binding affinities to ARM2-ARM4 domains (major binding site), sharing binding affinities to the same active residues. These results suggest that ivermectin shares the same active site on the &#945;-importins as the SARS-CoV-2 N and ORF6 proteins, demonstrating a potential molecular target for research in the development of new antiviral drugs against COVID-19.]]></p></abstract>
<abstract abstract-type="short" xml:lang="es"><p><![CDATA[Resumen Se ha demostrado in vitro que la ivermectina reduce la replicación del SARS-CoV-2 en células infectadas mediante la interacción con importinas &#945;, sin embargo, aún se desconoce el mecanismo exacto de acción. El objetivo de este estudio fue analizar afinidades de unión de la ivermectina, la nucleocápside (N) y las proteínas ORF6 del SARS-CoV-2 con isoformas de importinas &#945; humanas utilizando métodos de acoplamiento molecular. Se utilizaron estructuras cristalizadas de importinas &#945; de Protein Data Bank (PDB) y de la AlphaFold Protein Structure Database, y las proteínas virales se modelaron utilizando AlphaFold 2. Se llevaron a cabo simulaciones de acoplamiento molecular entre isoformas de la importina &#945; humana, la ivermectina, y las proteínas N y ORF6, empleando los algoritmos Broy-den-Fletcher-Goldfarb-Shanno, FTDock y pyDockRST. Los datos obtenidos evidenciaron que las proteínas virales del SARS-CoV-2 y la ivermectina presentan afinidades de unión favorables a los dominios ARM2-ARM4 (sitio principal de unión), compartiendo afinidades de interacción con los mismos residuos activos. Estos resultados sugieren que la ivermectina comparte el mismo sitio activo en las importinas &#945; que las proteínas N y ORF6 de SARS-CoV-2, demostrando una potencial diana molecular para la investigación en el desarrollo de nuevos fármacos antivirales contra la COVID-19.]]></p></abstract>
<kwd-group>
<kwd lng="en"><![CDATA[Antiparasitic agent]]></kwd>
<kwd lng="en"><![CDATA[cheminformatics]]></kwd>
<kwd lng="en"><![CDATA[COVID-19]]></kwd>
<kwd lng="en"><![CDATA[karyopherins]]></kwd>
<kwd lng="en"><![CDATA[viral proteins]]></kwd>
<kwd lng="es"><![CDATA[Antiparasitario]]></kwd>
<kwd lng="es"><![CDATA[quimioinformática]]></kwd>
<kwd lng="es"><![CDATA[COVID-19]]></kwd>
<kwd lng="es"><![CDATA[carioferinas]]></kwd>
<kwd lng="es"><![CDATA[proteínas virales]]></kwd>
</kwd-group>
</article-meta>
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