<?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>1870-249X</journal-id>
<journal-title><![CDATA[Journal of the Mexican Chemical Society]]></journal-title>
<abbrev-journal-title><![CDATA[J. Mex. Chem. Soc]]></abbrev-journal-title>
<issn>1870-249X</issn>
<publisher>
<publisher-name><![CDATA[Sociedad Química de México A.C.]]></publisher-name>
</publisher>
</journal-meta>
<article-meta>
<article-id>S1870-249X2016000300168</article-id>
<title-group>
<article-title xml:lang="en"><![CDATA[Review. One Drug for Multiple Targets: A Computational Perspective]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Méndez-Lucio]]></surname>
<given-names><![CDATA[Oscar]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Naveja]]></surname>
<given-names><![CDATA[J. Jesús]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
<xref ref-type="aff" rid="Aaf"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Vite-Caritino]]></surname>
<given-names><![CDATA[Hugo]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Prieto-Martínez]]></surname>
<given-names><![CDATA[Fernando Daniel]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Medina-Franco]]></surname>
<given-names><![CDATA[José Luis]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,Universidad Nacional Autónoma de México Facultad de Química Departamento de Farmacia]]></institution>
<addr-line><![CDATA[Mexico ]]></addr-line>
<country>Mexico</country>
</aff>
<aff id="Af2">
<institution><![CDATA[,Universidad Nacional Autónoma de México Facultad de Medicina PECEM]]></institution>
<addr-line><![CDATA[Mexico ]]></addr-line>
<country>Mexico</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>09</month>
<year>2016</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>09</month>
<year>2016</year>
</pub-date>
<volume>60</volume>
<numero>3</numero>
<fpage>168</fpage>
<lpage>181</lpage>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_arttext&amp;pid=S1870-249X2016000300168&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_abstract&amp;pid=S1870-249X2016000300168&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_pdf&amp;pid=S1870-249X2016000300168&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="en"><p><![CDATA[Abstract: This review discusses the concept of polypharmacology in drug discovery and development. The relationship between polypharmacology and polypharmacy, drug repurposing, combination of drugs and in vivo testing are discussed. Modern applications of polypharmacology and polypharmacy in epigenetic and antiviral drug development are described as examples. A survey of modern methodologies to design and develop multiple-target ligands is presented with a special focus on computational-based methods. These approaches include, but are not limited to, target fishing, proteochemometric modeling, data mining of side effects of drugs, and computer-aided drug repurposing.]]></p></abstract>
<abstract abstract-type="short" xml:lang="es"><p><![CDATA[Resumen: En este artículo se revisa el concepto de polifarmacología en el descubrimiento y diseño de fármacos. Se discute la relación que hay entre polifarmacología con polifarmacia, reposicionamiento de fármacos, combinación de fármacos y pruebas in vivo. Se describen ejemplos de polifarmacología y polifarmacia en el desarrollo de fármacos epigenéticos y antivirales. Se presenta una revisión de métodos modernos para diseñar y desarrollar ligandos dirigidos hacia múltiples blancos moleculares con énfasis en métodos computacionales. Estas estrategias incluyen, pero no están limitadas a, &#8217;pesca de blancos&#8217;, modelado proteoquimiométrico, minería de datos de efectos secundarios de fármacos y reposicionamiento de fármacos asistido por computadora.]]></p></abstract>
<kwd-group>
<kwd lng="en"><![CDATA[biological space]]></kwd>
<kwd lng="en"><![CDATA[chemogenomics]]></kwd>
<kwd lng="en"><![CDATA[chemical space]]></kwd>
<kwd lng="en"><![CDATA[drug repurposing]]></kwd>
<kwd lng="en"><![CDATA[polypharmacology]]></kwd>
<kwd lng="en"><![CDATA[polypharmacy]]></kwd>
<kwd lng="es"><![CDATA[espacio biológico]]></kwd>
<kwd lng="es"><![CDATA[quimiogenómica]]></kwd>
<kwd lng="es"><![CDATA[espacio químico]]></kwd>
<kwd lng="es"><![CDATA[reposicionamiento de fármacos]]></kwd>
<kwd lng="es"><![CDATA[polifarmacología]]></kwd>
<kwd lng="es"><![CDATA[polifarmacia]]></kwd>
</kwd-group>
</article-meta>
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