<?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>2224-7920</journal-id>
<journal-title><![CDATA[Revista de Producción Animal]]></journal-title>
<abbrev-journal-title><![CDATA[Rev. prod. anim.]]></abbrev-journal-title>
<issn>2224-7920</issn>
<publisher>
<publisher-name><![CDATA[Ediciones Universidad de Camagüey]]></publisher-name>
</publisher>
</journal-meta>
<article-meta>
<article-id>S2224-79202022000300103</article-id>
<title-group>
<article-title xml:lang="es"><![CDATA[Modelación molecular de cinco flavonoides como antagonistas del receptor de hidrocarburos de arilo. Potencialidades para la salud y producción animal]]></article-title>
<article-title xml:lang="en"><![CDATA[Molecular Modelling of Five Flavonoids as Antagonists of the Aryl Hydrocarbon Receptor Potentialities for Health and Animal Production]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Collado García]]></surname>
<given-names><![CDATA[Oscar Guillermo]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Martínez Sáez]]></surname>
<given-names><![CDATA[Silvio José]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Bertot Valdés]]></surname>
<given-names><![CDATA[José Alberto]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[De Winter]]></surname>
<given-names><![CDATA[Hans]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Molina]]></surname>
<given-names><![CDATA[Enrique]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Cos]]></surname>
<given-names><![CDATA[Paul]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,Universidad de Camagüey ¨Ignacio Agramonte Loynaz¨ Dpto. Química. Facultad de Ciencias Aplicadas ]]></institution>
<addr-line><![CDATA[ Camagüey]]></addr-line>
<country>Cuba</country>
</aff>
<aff id="Af2">
<institution><![CDATA[,Universidad de Camagüey ¨Ignacio Agramonte Loynaz¨ Facultad de Ciencias agropecuarias ]]></institution>
<addr-line><![CDATA[ Camagüey]]></addr-line>
<country>Cuba</country>
</aff>
<aff id="Af3">
<institution><![CDATA[,Universidad de Camagüey ¨Ignacio Agramonte Loynaz¨ Departamento de Veterinaria, Facultad de Ciencias agropecuarias ]]></institution>
<addr-line><![CDATA[ Camagüey]]></addr-line>
<country>Cuba</country>
</aff>
<aff id="Af4">
<institution><![CDATA[,University of Antwerp Laboratory for Medicinal Chemistry. Department of Pharmaceutical Science Faculty of Pharmaceutical, Biomedical and Veterinary Sciences]]></institution>
<addr-line><![CDATA[Universiteitsplein 2610 Antwerp]]></addr-line>
<country>Belgium</country>
</aff>
<aff id="Af5">
<institution><![CDATA[,Universidad de Camagüey ¨Ignacio Agramonte Loynaz¨ Dpto. Química. Facultad de Ciencias Aplicadas ]]></institution>
<addr-line><![CDATA[ Camagüey]]></addr-line>
<country>Cuba</country>
</aff>
<aff id="Af6">
<institution><![CDATA[,University of Antwerp Laboratory for Microbiology, Parasitology and Hygiene (LMPH) Department of Pharmaceutical Science, Faculty of Pharmaceutical, Biomedical and Veterinary Sciences]]></institution>
<addr-line><![CDATA[Universiteitsplein 2610 Antwerp]]></addr-line>
<country>Belgium</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>12</month>
<year>2022</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>12</month>
<year>2022</year>
</pub-date>
<volume>34</volume>
<numero>3</numero>
<fpage>103</fpage>
<lpage>121</lpage>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://scielo.sld.cu/scielo.php?script=sci_arttext&amp;pid=S2224-79202022000300103&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://scielo.sld.cu/scielo.php?script=sci_abstract&amp;pid=S2224-79202022000300103&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://scielo.sld.cu/scielo.php?script=sci_pdf&amp;pid=S2224-79202022000300103&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="es"><p><![CDATA[RESUMEN  Antecedentes:  El receptor de arilo de hidrocarburos (AHR) juega un papel importante en el desarrollo de la glándula mamaria, se relaciona con el factor de crecimiento transformante &#946;1 (TGF-&#946;1) que regula diversos procesos celulares, por lo que su sobreexpresión puede provocar procesos patológicos en los animales y afectar su salud y producción.  Materiales y Métodos:  Se investigaron las moléculas de flavonoides 3-Metilluteolina, Kaempferol, Resveratrol, Miricetina y Quercetina. Para el modelado se utilizaron las estructuras de AHR:ARNT obtenidas del programa Swiss Model, para el acoplamiento el programa MOE 2019.01., y para la determinación de interacciones proteína-proteína (IPP) y mutaciones de alanina, los servidores Cocomaps (bioCOmplexes Contact MAPS) y Robetta y Rosetta Backrub, respectivamente.  Resultados:  Los flavonoides estudiados se unen a interfaces de contacto a nivel de los dominios bHLH, PAS-A y las interfaces bHLH/PAS-A y PAS-A/PAS-B de la AHR y pueden exhibir un comportamiento antagónico debido a las interacciones a nivel de las superficies de contacto para bloquear o modular las interacciones proteína-proteína entre AHR y ARNT.  Conclusiones:  Los cinco flavonoides pueden interactuar a nivel de diferentes interfaces superficiales del AHR para modular la formación del heterodímero funcional, actuando como agentes antagonistas. El orden de probabilidad de estas acciones es mayor con 3-Metilluteolina, Kaempferol, Resveratrol y menor con Miricetina y Quercetina. La suplementación del pienso con follaje rico en estos flavonoides podría mejorar la salud y la producción animal.]]></p></abstract>
<abstract abstract-type="short" xml:lang="en"><p><![CDATA[ABSTRACT  Background:  The Aryl hydrocarbon receptor (AHR) plays a significant role in the development of the mammary gland, as it is related to the transforming growth factor &#946;1 (TGF-&#946;1), which regulates several cellular processes. Hence, its overexpression may lead to pathological processes in the animals, and affect their health and production.  Materials and methods:  The 3-methyl luteoline, kaempferol, resveratrol, myricetin, and quercetin flavonoid molecules were studied. Modelling relied on the AHR:ARNT structures obtained from Swiss Model software, for coupling program MOE 2019.01, and to determine the protein-protein interactions (PPI). The Cocomaps (bioComplexes Contact MAPS) servers, and Robetta and Rosetta Backruband were used for determining the mutations of alanine.  Results:  The flavonoids studied associated with contact interfaces at the bHLH, PAS-A domain level and the bHLH/PAS-A and PAS-A/PAS-B of AHR interfaces, and they can undergo an antagonistic behavior due to the interactions at the contact surface level to block or modulate the protein-protein interactions between AHR and ARNT.  Conclusions  The five flavonoids can interact at different AHR superficial interfaces to modulate the formation of the functional heterodimer, acting as antagonist agents. The order of occurrence probability of these actions is higher with 3-methyl luteoline, kaempferol, resveratrol, and lower with myricetin, and quercetin. Feed supplementation using foliage rich in these flavonoids might improve animal health and production.]]></p></abstract>
<kwd-group>
<kwd lng="es"><![CDATA[Nutrición animal]]></kwd>
<kwd lng="es"><![CDATA[Receptor de Hidrocarburos de Arilo]]></kwd>
<kwd lng="es"><![CDATA[Flavonoides]]></kwd>
<kwd lng="es"><![CDATA[Reproducción]]></kwd>
<kwd lng="es"><![CDATA[Factores de Transcripción]]></kwd>
<kwd lng="en"><![CDATA[Animal nutrition]]></kwd>
<kwd lng="en"><![CDATA[Aryl hydrocarbon receptor]]></kwd>
<kwd lng="en"><![CDATA[flavonoids]]></kwd>
<kwd lng="en"><![CDATA[breeding]]></kwd>
<kwd lng="en"><![CDATA[transcription factors]]></kwd>
</kwd-group>
</article-meta>
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