<?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>1405-888X</journal-id>
<journal-title><![CDATA[TIP. Revista especializada en ciencias químico-biológicas]]></journal-title>
<abbrev-journal-title><![CDATA[TIP]]></abbrev-journal-title>
<issn>1405-888X</issn>
<publisher>
<publisher-name><![CDATA[Universidad Nacional Autónoma de México, Facultad de Estudios Superiores Zaragoza]]></publisher-name>
</publisher>
</journal-meta>
<article-meta>
<article-id>S1405-888X2018000200201</article-id>
<article-id pub-id-type="doi">10.22201/fesz.23958723e.2018.2.6</article-id>
<title-group>
<article-title xml:lang="es"><![CDATA[Diseño de fármacos asistido por computadora: cuando la informática, la química y el arte se encuentran]]></article-title>
<article-title xml:lang="en"><![CDATA[Computer-aided drug design: when informatics, chemistry and art meets]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Prieto-Martínez]]></surname>
<given-names><![CDATA[Fernando D.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<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-group>
<aff id="Af1">
<institution><![CDATA[,Universidad Nacional Autónoma de México Facultad de Química Departamento de Farmacia]]></institution>
<addr-line><![CDATA[ Ciudad de México]]></addr-line>
<country>Mexico</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>12</month>
<year>2018</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>12</month>
<year>2018</year>
</pub-date>
<volume>21</volume>
<numero>2</numero>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_arttext&amp;pid=S1405-888X2018000200201&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_abstract&amp;pid=S1405-888X2018000200201&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_pdf&amp;pid=S1405-888X2018000200201&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="es"><p><![CDATA[Resumen La industria farmacéutica está en constante evolución, siendo el desarrollo y descubrimiento de nuevos fármacos el motor de la misma. Antaño, el diseño de fármacos estaba directamente relacionado a los productos naturales, que posteriormente se modificaban por síntesis. Si bien, la estrategia sigue vigente, el desarrollo de nuevos fármacos implica una inversión considerable de dinero y tiempo. Actualmente, el desarrollo de computadoras más potentes y eficientes ha permitido generar metodologías y simulaciones que han optimizado y en cierto grado modificado el panorama farmacéutico. Aquí se presenta un texto introductorio, a los principales métodos y técnicas computacionales auxiliares en el proceso de diseño y modelado molecular. Se hace especial énfasis en métodos quimioinformáticos, sus conceptos, bases y sus aplicaciones.]]></p></abstract>
<abstract abstract-type="short" xml:lang="en"><p><![CDATA[Abstract The pharmaceutical industry is in constant evolution being the driving force, discovery and development of new drugs. In the past, drug discovery was basically based on natural products that were later modified by chemical synthesis. Despite the fact such strategy continues to be valuable, the cost and time of current drug discovery is very high. Currently, the advancement in the development of more powerful and efficient computers has enabled to develop methods and simulations that are optimizing at certain point the drug discovery outllook. In this work we introduce major computational methods and techniques that aid the drug discovery process emphasizing chemoinformatics concepts, their basis and applications.]]></p></abstract>
<kwd-group>
<kwd lng="es"><![CDATA[acoplamiento molecular]]></kwd>
<kwd lng="es"><![CDATA[modelo de farmacóforo]]></kwd>
<kwd lng="es"><![CDATA[modelo por homología]]></kwd>
<kwd lng="es"><![CDATA[quimioinformática]]></kwd>
<kwd lng="es"><![CDATA[similitud molecular]]></kwd>
<kwd lng="en"><![CDATA[molecular docking]]></kwd>
<kwd lng="en"><![CDATA[pharmacophore model]]></kwd>
<kwd lng="en"><![CDATA[homology model]]></kwd>
<kwd lng="en"><![CDATA[chemoinformatics]]></kwd>
<kwd lng="en"><![CDATA[molecular similarity]]></kwd>
</kwd-group>
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