<?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>0034-7418</journal-id>
<journal-title><![CDATA[Revista Colombiana de Ciencias Químico - Farmacéuticas]]></journal-title>
<abbrev-journal-title><![CDATA[Rev. colomb. cienc. quim. farm.]]></abbrev-journal-title>
<issn>0034-7418</issn>
<publisher>
<publisher-name><![CDATA[Departamento de Farmácia, Facultad de Ciencias, Universidade Nacional da Colombia]]></publisher-name>
</publisher>
</journal-meta>
<article-meta>
<article-id>S0034-74182019000100044</article-id>
<article-id pub-id-type="doi">10.15446/rcciquifa.v48n1.80064</article-id>
<title-group>
<article-title xml:lang="es"><![CDATA[Estudio teórico de compuestos derivados de cefalosporinas con potencial actividad inhibitoria frente a proteína de unión a penicilina (PBP) y resistencia a enzimas betalactamasa de espectro extendido (BLEE) producidas por Escherichia coli]]></article-title>
<article-title xml:lang="en"><![CDATA[Theoretical study of compounds derived from cephalosporins with inhibitory activity potential front to penicillin binding proteins (PBP) and resistance to Extended spectrum Beta-lactamase (ESBL) produced by Escherichia coli]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Urbina-Daza]]></surname>
<given-names><![CDATA[Adrian]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Anaya-Ortega]]></surname>
<given-names><![CDATA[Cira]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Ahumedo-Monterrosa]]></surname>
<given-names><![CDATA[Maicol]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
<xref ref-type="aff" rid="Aaf"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Gaitan-Ibarra]]></surname>
<given-names><![CDATA[Ricardo]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Anaya-Gil]]></surname>
<given-names><![CDATA[Jorge]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,Universidad de Cartagena Facultad de Ciencias Farmacéuticas ]]></institution>
<addr-line><![CDATA[Cartagena ]]></addr-line>
<country>Colombia</country>
</aff>
<aff id="Af2">
<institution><![CDATA[,Fundación Universitaria Tecnológico Comfenalco Facultad de ingeniería ]]></institution>
<addr-line><![CDATA[Cartagena ]]></addr-line>
<country>Colombia</country>
</aff>
<aff id="Af3">
<institution><![CDATA[,Universidad de Cartagena Facultad de Ciencias Exactas y Naturales ]]></institution>
<addr-line><![CDATA[Cartagena ]]></addr-line>
<country>Colombia</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>04</month>
<year>2019</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>04</month>
<year>2019</year>
</pub-date>
<volume>48</volume>
<numero>1</numero>
<fpage>44</fpage>
<lpage>60</lpage>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://www.scielo.org.co/scielo.php?script=sci_arttext&amp;pid=S0034-74182019000100044&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.co/scielo.php?script=sci_abstract&amp;pid=S0034-74182019000100044&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.co/scielo.php?script=sci_pdf&amp;pid=S0034-74182019000100044&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="es"><p><![CDATA[RESUMEN Se han utilizado herramientas computacionales para proponer moléculas derivadas de cefalosporinas con potencial actividad antibacteriana, frente a cepas de Escherichia Coli, con mayor afinidad como inhibidores de enzimas de unión a penicilinas y que a su vez disminuyan o no tengan afinidad por betalactamasas de espectro extendido. Se diseñaron 20 moléculas con base en la estructura molecular de la cefalosporina, las estructuras fueron optimizadas utilizando la teoría del funcional de la densidad, se calcularon descriptores moleculares de reactividad, de forma paralela se sometieron a acoplamiento molecular con las enzimas antes mencionadas. Las moléculas presentaron valores de energía de unión negativos, doce moléculas mostraron una orientación e interacciones favorables en el sitio activo de la enzima de unión a penicilinas y trece moléculas presentaron menor afinidad que el ligando nativo (cefotaxima) por la betalactamasa. Tres moléculas pueden considerarse como potenciales inhibidores de enzimas de unión a penicilinas resistentes y betalactamasas.]]></p></abstract>
<abstract abstract-type="short" xml:lang="en"><p><![CDATA[SUMMARY Computational tools have been used to propose molecules derived from cephalosporins with potential antibacterial activity, against strains of Escherichia Coli, with higher affinity as inhibitors of penicillin-binding enzymes and which in turn decrease or do not have affinity for extended-spectrum beta-lactamases. 20 molecules were designed based on the molecular structure of the cephalosporin, the structures were optimized using the density functional theory, molecular descriptors of reactivity were calculated, and in parallel form they were subjected to molecular docking with the enzymes mentioned above. The molecules showed negative binding energy values, 12 molecules showed an orientation and favorable interactions in the active site of the penicillin binding enzyme and thirteen molecules had lower affinity than the native ligand (Cefotaxime) for betalactamase. Three molecules can be considered as potential inhibitors of binding enzymes to resistant penicillins and betalactamases.]]></p></abstract>
<kwd-group>
<kwd lng="es"><![CDATA[Cefalosporinas]]></kwd>
<kwd lng="es"><![CDATA[enzimas de unión a penicilinas]]></kwd>
<kwd lng="es"><![CDATA[betalactamasa de espectro extendido]]></kwd>
<kwd lng="es"><![CDATA[acoplamiento molecular]]></kwd>
<kwd lng="en"><![CDATA[Cephalosporins]]></kwd>
<kwd lng="en"><![CDATA[penicillin binding protein]]></kwd>
<kwd lng="en"><![CDATA[extended-spectrum beta-lactamases]]></kwd>
<kwd lng="en"><![CDATA[molecular docking]]></kwd>
</kwd-group>
</article-meta>
</front><back>
<ref-list>
<ref id="B1">
<label>1</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Galván]]></surname>
<given-names><![CDATA[F]]></given-names>
</name>
<name>
<surname><![CDATA[Agapito]]></surname>
<given-names><![CDATA[J]]></given-names>
</name>
<name>
<surname><![CDATA[Bravo]]></surname>
<given-names><![CDATA[N]]></given-names>
</name>
<name>
<surname><![CDATA[Lagos]]></surname>
<given-names><![CDATA[J]]></given-names>
</name>
<name>
<surname><![CDATA[Tamariz]]></surname>
<given-names><![CDATA[J]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Caracterización fenotípica y molecular de Escherichia coli productoras de &#946; -Lactamasas de espectro extendido en pacientes ambulatorios de Lima, Perú]]></article-title>
<source><![CDATA[Rev. Med. Hered]]></source>
<year>2016</year>
<volume>27</volume>
<page-range>22-9</page-range></nlm-citation>
</ref>
<ref id="B2">
<label>2</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[García-Hernández]]></surname>
<given-names><![CDATA[A.M]]></given-names>
</name>
<name>
<surname><![CDATA[García-Vázquez]]></surname>
<given-names><![CDATA[E]]></given-names>
</name>
<name>
<surname><![CDATA[Hernández-Torres]]></surname>
<given-names><![CDATA[A]]></given-names>
</name>
<name>
<surname><![CDATA[Ruiz]]></surname>
<given-names><![CDATA[J]]></given-names>
</name>
<name>
<surname><![CDATA[Yagüe]]></surname>
<given-names><![CDATA[G]]></given-names>
</name>
<name>
<surname><![CDATA[Herrero]]></surname>
<given-names><![CDATA[J]]></given-names>
</name>
<name>
<surname><![CDATA[Gómez]]></surname>
<given-names><![CDATA[J]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Productor de betalactamasas de espectro extendido (BLEE): significación clínica y perspectivas actuales]]></article-title>
<source><![CDATA[Ver. Esp. Quimioter]]></source>
<year>2011</year>
<volume>24</volume>
<numero>2</numero>
<issue>2</issue>
<page-range>57-66</page-range></nlm-citation>
</ref>
<ref id="B3">
<label>3</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Suáres]]></surname>
<given-names><![CDATA[C]]></given-names>
</name>
<name>
<surname><![CDATA[Gudiol]]></surname>
<given-names><![CDATA[F]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Antibióticos betalactámicos]]></article-title>
<source><![CDATA[Enferm. Infecc. Microbiol. Clin]]></source>
<year>2009</year>
<volume>27</volume>
<numero>2</numero>
<issue>2</issue>
<page-range>116-29</page-range></nlm-citation>
</ref>
<ref id="B4">
<label>4</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Zapun]]></surname>
<given-names><![CDATA[A]]></given-names>
</name>
<name>
<surname><![CDATA[Contrerasmartel]]></surname>
<given-names><![CDATA[C]]></given-names>
</name>
<name>
<surname><![CDATA[Vernet]]></surname>
<given-names><![CDATA[T]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Penicillinbinding proteins and b-lac-tam resistance]]></article-title>
<source><![CDATA[FEMSMicrobiol. Rev]]></source>
<year>2008</year>
<volume>32</volume>
<page-range>361-85</page-range></nlm-citation>
</ref>
<ref id="B5">
<label>5</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[García]]></surname>
<given-names><![CDATA[C]]></given-names>
</name>
<name>
<surname><![CDATA[Astocondor]]></surname>
<given-names><![CDATA[L]]></given-names>
</name>
<name>
<surname><![CDATA[Banda]]></surname>
<given-names><![CDATA[C]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Enterobacterias productoras de-lactamasas de espectro extendido: Situación en América Latina y en el Perú]]></article-title>
<source><![CDATA[Acta Med. Per]]></source>
<year>2012</year>
<volume>29</volume>
<numero>3</numero>
<issue>3</issue>
<page-range>163-9</page-range></nlm-citation>
</ref>
<ref id="B6">
<label>6</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Amado]]></surname>
<given-names><![CDATA[N]]></given-names>
</name>
<name>
<surname><![CDATA[Fajardo]]></surname>
<given-names><![CDATA[H]]></given-names>
</name>
<name>
<surname><![CDATA[Ramírez]]></surname>
<given-names><![CDATA[R]]></given-names>
</name>
<name>
<surname><![CDATA[Gloria]]></surname>
<given-names><![CDATA[G]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Prevalence of extended-spectrum beta-lactamases in gramnegative bacilli in a health institution of Tunja (Colombia) in 2013]]></article-title>
<source><![CDATA[Salud Soc. UPTC]]></source>
<year>2014</year>
<volume>1</volume>
<numero>2</numero>
<issue>2</issue>
<page-range>54-60</page-range></nlm-citation>
</ref>
<ref id="B7">
<label>7</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Echevarria]]></surname>
<given-names><![CDATA[J]]></given-names>
</name>
<name>
<surname><![CDATA[Iglesias]]></surname>
<given-names><![CDATA[D]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Estafilococo Meticilino resistente, un problema actual en la emergencia de resistencia entre los Gram positivos]]></article-title>
<source><![CDATA[Rev. Med. Hered]]></source>
<year>2003</year>
<volume>14</volume>
<numero>4</numero>
<issue>4</issue>
<page-range>195-203</page-range></nlm-citation>
</ref>
<ref id="B8">
<label>8</label><nlm-citation citation-type="book">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Dennington]]></surname>
<given-names><![CDATA[R]]></given-names>
</name>
<name>
<surname><![CDATA[Keith]]></surname>
<given-names><![CDATA[T]]></given-names>
</name>
<name>
<surname><![CDATA[Millam]]></surname>
<given-names><![CDATA[J]]></given-names>
</name>
<name>
<surname><![CDATA[GaussView]]></surname>
</name>
</person-group>
<source><![CDATA[Semichem Inc]]></source>
<year>2009</year>
<publisher-name><![CDATA[Shawnee Mission KS]]></publisher-name>
</nlm-citation>
</ref>
<ref id="B9">
<label>9</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Burke]]></surname>
<given-names><![CDATA[K]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Perspective on density functional theory Perspective on density functional theory]]></article-title>
<source><![CDATA[J. Chem. Phys]]></source>
<year>2012</year>
<volume>136</volume>
<numero>15</numero>
<issue>15</issue>
<page-range>150901-19</page-range></nlm-citation>
</ref>
<ref id="B10">
<label>10</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Xu]]></surname>
<given-names><![CDATA[X]]></given-names>
</name>
<name>
<surname><![CDATA[Goddard]]></surname>
<given-names><![CDATA[W.A]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical properties]]></article-title>
<source><![CDATA[Proc. Natl. Acad. Sci]]></source>
<year>2004</year>
<volume>101</volume>
<numero>9</numero>
<issue>9</issue>
<page-range>2673-7</page-range><publisher-loc><![CDATA[USA ]]></publisher-loc>
</nlm-citation>
</ref>
<ref id="B11">
<label>11</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Godbout]]></surname>
<given-names><![CDATA[N]]></given-names>
</name>
<name>
<surname><![CDATA[Salahub]]></surname>
<given-names><![CDATA[D.R]]></given-names>
</name>
<name>
<surname><![CDATA[Andzelm]]></surname>
<given-names><![CDATA[J]]></given-names>
</name>
<name>
<surname><![CDATA[Wimmer]]></surname>
<given-names><![CDATA[E]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Optimization of Gaussian-type basis sets for local spin density functional calculations. Part I. Boron through neon, optimization technique and validation]]></article-title>
<source><![CDATA[Can. J. Chem]]></source>
<year>1992</year>
<volume>70</volume>
<numero>2</numero>
<issue>2</issue>
<page-range>560-71</page-range></nlm-citation>
</ref>
<ref id="B12">
<label>12</label><nlm-citation citation-type="book">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Frisch]]></surname>
<given-names><![CDATA[M.J]]></given-names>
</name>
<name>
<surname><![CDATA[Trucks]]></surname>
<given-names><![CDATA[G.W]]></given-names>
</name>
<name>
<surname><![CDATA[Schlegel]]></surname>
<given-names><![CDATA[H. B]]></given-names>
</name>
<name>
<surname><![CDATA[Scuseria]]></surname>
<given-names><![CDATA[G.E]]></given-names>
</name>
<name>
<surname><![CDATA[Robb]]></surname>
<given-names><![CDATA[M.A]]></given-names>
</name>
<name>
<surname><![CDATA[Cheeseman]]></surname>
<given-names><![CDATA[J.R]]></given-names>
</name>
<name>
<surname><![CDATA[Scalmani]]></surname>
<given-names><![CDATA[G]]></given-names>
</name>
<name>
<surname><![CDATA[Barone]]></surname>
<given-names><![CDATA[V]]></given-names>
</name>
<name>
<surname><![CDATA[Mennucci]]></surname>
<given-names><![CDATA[B]]></given-names>
</name>
<name>
<surname><![CDATA[Petersson]]></surname>
<given-names><![CDATA[G.A]]></given-names>
</name>
</person-group>
<source><![CDATA[Gaussian 09]]></source>
<year>2009</year>
<publisher-loc><![CDATA[Wallingford ]]></publisher-loc>
<publisher-name><![CDATA[Gaussian, Inc]]></publisher-name>
</nlm-citation>
</ref>
<ref id="B13">
<label>13</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Hanwell]]></surname>
<given-names><![CDATA[M.D]]></given-names>
</name>
<name>
<surname><![CDATA[Curtis]]></surname>
<given-names><![CDATA[D.E]]></given-names>
</name>
<name>
<surname><![CDATA[Lonie]]></surname>
<given-names><![CDATA[D.C]]></given-names>
</name>
<name>
<surname><![CDATA[Vandermeersch]]></surname>
<given-names><![CDATA[T]]></given-names>
</name>
<name>
<surname><![CDATA[Zurek]]></surname>
<given-names><![CDATA[E]]></given-names>
</name>
<name>
<surname><![CDATA[Hutchison]]></surname>
<given-names><![CDATA[G.R]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Avogadro: an advanced semantic chemical editor , visualization , and analysis platform]]></article-title>
<source><![CDATA[J. Cheminformatics]]></source>
<year>2012</year>
<volume>4</volume>
<page-range>1-17</page-range></nlm-citation>
</ref>
<ref id="B14">
<label>14</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Berman]]></surname>
<given-names><![CDATA[H]]></given-names>
</name>
<name>
<surname><![CDATA[Henrick]]></surname>
<given-names><![CDATA[K]]></given-names>
</name>
<name>
<surname><![CDATA[Nakamura]]></surname>
<given-names><![CDATA[H]]></given-names>
</name>
<name>
<surname><![CDATA[Markley]]></surname>
<given-names><![CDATA[J.L]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[The World Wide Protein Data Bank (wwPDB ): ensuring a single, uniform archive of PDB data]]></article-title>
<source><![CDATA[Nucleic Acids Res]]></source>
<year>2007</year>
<volume>35</volume>
<page-range>2006-8</page-range></nlm-citation>
</ref>
<ref id="B15">
<label>15</label><nlm-citation citation-type="book">
<collab>Tripos International</collab>
<source><![CDATA[Sybyl-X Molecular Modeling Software Packages, Version 2.0]]></source>
<year>2012</year>
<publisher-loc><![CDATA[St. Louis, MO, USA ]]></publisher-loc>
<publisher-name><![CDATA[Tripos Associates, Inc]]></publisher-name>
</nlm-citation>
</ref>
<ref id="B16">
<label>16</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Gasteiger]]></surname>
<given-names><![CDATA[J]]></given-names>
</name>
<name>
<surname><![CDATA[Marsili]]></surname>
<given-names><![CDATA[M]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Iterative partial equalization of orbital electronegativity a rapid access to atomic charges]]></article-title>
<source><![CDATA[Tetrahedron]]></source>
<year>1980</year>
<volume>36</volume>
<numero>22</numero>
<issue>22</issue>
<page-range>3219-28</page-range></nlm-citation>
</ref>
<ref id="B17">
<label>17</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Morris]]></surname>
<given-names><![CDATA[G]]></given-names>
</name>
<name>
<surname><![CDATA[Huey]]></surname>
<given-names><![CDATA[R]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility]]></article-title>
<source><![CDATA[J. Comput. Chem]]></source>
<year>2009</year>
<volume>30</volume>
<numero>16</numero>
<issue>16</issue>
<page-range>2785-91</page-range></nlm-citation>
</ref>
<ref id="B18">
<label>18</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Morris]]></surname>
<given-names><![CDATA[G.M]]></given-names>
</name>
<name>
<surname><![CDATA[Goodsell]]></surname>
<given-names><![CDATA[D.S]]></given-names>
</name>
<name>
<surname><![CDATA[Halliday]]></surname>
<given-names><![CDATA[R.S]]></given-names>
</name>
<name>
<surname><![CDATA[Huey]]></surname>
<given-names><![CDATA[R]]></given-names>
</name>
<name>
<surname><![CDATA[Hart]]></surname>
<given-names><![CDATA[W.E]]></given-names>
</name>
<name>
<surname><![CDATA[Belew]]></surname>
<given-names><![CDATA[R.K]]></given-names>
</name>
<name>
<surname><![CDATA[Olson]]></surname>
<given-names><![CDATA[A.J]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Automated docking using a lamarckian genetic algorithm and an empirical binding free energy function]]></article-title>
<source><![CDATA[J. Comp. Chem]]></source>
<year>1998</year>
<volume>19</volume>
<numero>14</numero>
<issue>14</issue>
<page-range>1639-62</page-range></nlm-citation>
</ref>
<ref id="B19">
<label>19</label><nlm-citation citation-type="book">
<source><![CDATA[iscovery Studio, version 2.5]]></source>
<year>2009</year>
<publisher-loc><![CDATA[San Diego, CA, USA ]]></publisher-loc>
<publisher-name><![CDATA[Accelrys, Inc]]></publisher-name>
</nlm-citation>
</ref>
<ref id="B20">
<label>20</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Ford]]></surname>
<given-names><![CDATA[K. A]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Role of electrostatic potential in the in silico prediction of molecular bioactivation and mutagenesis]]></article-title>
<source><![CDATA[Mol. Pharm]]></source>
<year>2013</year>
<volume>10</volume>
<page-range>1171-82</page-range></nlm-citation>
</ref>
<ref id="B21">
<label>21</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Aramburu]]></surname>
<given-names><![CDATA[V]]></given-names>
</name>
<name>
<surname><![CDATA[López]]></surname>
<given-names><![CDATA[M]]></given-names>
</name>
<name>
<surname><![CDATA[Fasoli]]></surname>
<given-names><![CDATA[H]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Modelado de sistemas nanoestructurados como catalizadores de la reacción de la reducción de oxigeno]]></article-title>
<source><![CDATA[Mecánica Computacional]]></source>
<year>2016</year>
<volume>34</volume>
<page-range>2967-80</page-range></nlm-citation>
</ref>
<ref id="B22">
<label>22</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Ahumedo]]></surname>
<given-names><![CDATA[M. J]]></given-names>
</name>
<name>
<surname><![CDATA[Drosos]]></surname>
<given-names><![CDATA[J. C]]></given-names>
</name>
<name>
<surname><![CDATA[Vivas-Reyes]]></surname>
<given-names><![CDATA[R]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Application of molecular docking and ONIOM methods for the description of interactions between anti-quorum sensing active (AHL) analogues and the Pseudomonas aeruginosa LasR binding site]]></article-title>
<source><![CDATA[Molecular bioSystems]]></source>
<year>2014</year>
<volume>10</volume>
<numero>5</numero>
<issue>5</issue>
<page-range>1162-71</page-range></nlm-citation>
</ref>
<ref id="B23">
<label>23</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Dhara]]></surname>
<given-names><![CDATA[L]]></given-names>
</name>
<name>
<surname><![CDATA[Tripathi]]></surname>
<given-names><![CDATA[A]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Antimicrobial activity of eugenol and cinnamaldehyde against extended spectrum beta lactamase producing enterobacteriaceae by in vitro and molecular docking analysis]]></article-title>
<source><![CDATA[Eur. J. Integr. Med]]></source>
<year>2013</year>
<volume>5</volume>
<numero>6</numero>
<issue>6</issue>
<page-range>527-36</page-range></nlm-citation>
</ref>
</ref-list>
</back>
</article>
