<?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>0187-893X</journal-id>
<journal-title><![CDATA[Educación química]]></journal-title>
<abbrev-journal-title><![CDATA[Educ. quím]]></abbrev-journal-title>
<issn>0187-893X</issn>
<publisher>
<publisher-name><![CDATA[Universidad Nacional Autónoma de México, Facultad de Química]]></publisher-name>
</publisher>
</journal-meta>
<article-meta>
<article-id>S0187-893X2015000300180</article-id>
<article-id pub-id-type="doi">10.1016/j.eq.2015.05.002</article-id>
<title-group>
<article-title xml:lang="es"><![CDATA[Avances en el diseño de fármacos asistido por computadora]]></article-title>
<article-title xml:lang="en"><![CDATA[Progress in computer-aided drug design]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Medina-Franco]]></surname>
<given-names><![CDATA[José L.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Fernández-de Gortari]]></surname>
<given-names><![CDATA[Eli]]></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-group>
<aff id="Af1">
<institution><![CDATA[,Universidad Nacional Autónoma de México Facultad de Química Departamento de Farmacia]]></institution>
<addr-line><![CDATA[México D.F.]]></addr-line>
<country>MX</country>
</aff>
<aff id="Af2">
<institution><![CDATA[,Universidad Nacional Autónoma de México Facultad de Medicina PECEM]]></institution>
<addr-line><![CDATA[México D.F.]]></addr-line>
<country>MX</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>00</month>
<year>2015</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>00</month>
<year>2015</year>
</pub-date>
<volume>26</volume>
<numero>3</numero>
<fpage>180</fpage>
<lpage>186</lpage>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_arttext&amp;pid=S0187-893X2015000300180&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_abstract&amp;pid=S0187-893X2015000300180&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_pdf&amp;pid=S0187-893X2015000300180&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="es"><p><![CDATA[El diseño de fármacos asistido por computadora (DIFAC) tiene como objetivos el diseño, optimización y selección de compuestos con actividad biológica. El DIFAC forma parte de un esfuerzo multidisciplinario y tiene numerosas aplicaciones específicas durante el proceso de desarrollo de fármacos. A la fecha ha tenido contribuciones significativas en el diseño de fármacos que se encuentran en uso clínico. Es por esto que DIFAC cobra cada vez mayor importancia en la investigación que se hace en la industria farmacéutica, en universidades y centros de investigación. Métodos empleados en DIFAC pueden aplicarse a otras áreas, por ejemplo, productos naturales, bioquímica, química en alimentos, orgánica y teórica. En este artículo se discuten ejemplos de proyectos de diseño de fármacos realizados por un grupo de investigación enfocado en el DIFAC.]]></p></abstract>
<abstract abstract-type="short" xml:lang="en"><p><![CDATA[The goals of computer-aided drug design (CADD) are the design, optimization and selection of compounds with biological activity. CADD is part of a multidisciplinary effort and has several specific applications during the drug development process. So far, this discipline has made significant contributions to the development of drugs that are currently in clinical use. Therefore, CADD has an increasing relevance in the research performed at the pharmaceutical industry, universities and research centers. Methods used in CADD can be used in other research areas such as natural products, biochemistry, food, organic, and theoretical chemistry. Herein, we discuss examples of drug design projects performed by an academic group focused on CADD.]]></p></abstract>
<kwd-group>
<kwd lng="es"><![CDATA[Quimiogenómica]]></kwd>
<kwd lng="es"><![CDATA[Quimioinformática]]></kwd>
<kwd lng="es"><![CDATA[Modelado molecular]]></kwd>
<kwd lng="es"><![CDATA[Relaciones estructura-actividad]]></kwd>
<kwd lng="es"><![CDATA[Cribado virtual]]></kwd>
<kwd lng="en"><![CDATA[Chemogenomics]]></kwd>
<kwd lng="en"><![CDATA[Chemoinformatics]]></kwd>
<kwd lng="en"><![CDATA[Molecular modeling]]></kwd>
<kwd lng="en"><![CDATA[Structure-activity relationships]]></kwd>
<kwd lng="en"><![CDATA[Virtual screening]]></kwd>
</kwd-group>
</article-meta>
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