<?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>S1870-249X2025000400687</article-id>
<article-id pub-id-type="doi">10.29356/jmcs.v69i4.2241</article-id>
<title-group>
<article-title xml:lang="en"><![CDATA[In silico Computational Study of Cinnamon (Cinnamomum verum) Bioactive Compounds as Cancer-Immunotherapy Drug Candidate Targeting RAS-JAK-ERK Signaling Pathway to Inhibit the Programmed Death Protein Ligand 1 (PD-L1) Expression]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Putra]]></surname>
<given-names><![CDATA[Wira Eka]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Sustiprijatno]]></surname>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Hidayatullah]]></surname>
<given-names><![CDATA[Arief]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Widiastuti]]></surname>
<given-names><![CDATA[Diana]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Heikal]]></surname>
<given-names><![CDATA[Muhammad Fikri]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,Universitas Negeri Malang Faculty of Mathematics and Natural Sciences Department of Applied Sciences]]></institution>
<addr-line><![CDATA[ East Java]]></addr-line>
<country>Indonesia</country>
</aff>
<aff id="Af2">
<institution><![CDATA[,National Research and Innovation Agency Research Center for Applied Botany ]]></institution>
<addr-line><![CDATA[ West Java]]></addr-line>
<country>Indonesia</country>
</aff>
<aff id="Af3">
<institution><![CDATA[,United Nations Development Programme Indonesia Health Governance Initiative ]]></institution>
<addr-line><![CDATA[ Jakarta]]></addr-line>
<country>Indonesia</country>
</aff>
<aff id="Af4">
<institution><![CDATA[,Universitas Pakuan Faculty of Mathematics and Natural Science Department of Chemistry]]></institution>
<addr-line><![CDATA[ West Java]]></addr-line>
<country>Indonesia</country>
</aff>
<aff id="Af5">
<institution><![CDATA[,Universitas Negeri Malang Faculty of Mathematics and Natural Sciences Department of Biology]]></institution>
<addr-line><![CDATA[ East Java]]></addr-line>
<country>Indonesia</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>12</month>
<year>2025</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>12</month>
<year>2025</year>
</pub-date>
<volume>69</volume>
<numero>4</numero>
<fpage>687</fpage>
<lpage>696</lpage>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_arttext&amp;pid=S1870-249X2025000400687&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_abstract&amp;pid=S1870-249X2025000400687&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_pdf&amp;pid=S1870-249X2025000400687&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="en"><p><![CDATA[Abstract. Immunotherapy is the current and an alternative therapy option for cancer. Targeting PD-L1 expression provides one approach for limiting cancer progression. Cinnamon is a plant with medicinal properties that is also commonly used as a spice. Previous study indicates that cinnamon has multiple therapeutic effects because it is utilized to treat a variety of diseases. The purpose of this research is to examine the potential of bioactive compounds derived from cinnamon as potential cancer immunotherapy agents through the inhibition of PD-L1 expression. In the present investigation, in silico approaches were used, which included molecular docking and predicting the biological activity of cinnamon bioactive compounds. According to the findings, the active compound of cinnamon was effective and had the potential to inhibit the JAK protein, but not RAS or ERK. Furthermore, according to the biological activity predictions, cinnamon bioactive compounds contribute as cancer fighting agents by having high Pa values for several parameters such as antineoplastic, apoptosis agonist, BRAF expression inhibitor, JAK2 expression inhibitor, and Myc inhibitor also low Pa values for M-CSF agonists. Finally, more detailed research on cinnamon bioactive compounds, particularly caryophyllene, is required.]]></p></abstract>
<abstract abstract-type="short" xml:lang="es"><p><![CDATA[Resumen. La inmunoterapia es la opción terapéutica alternativa actual para el cáncer. Usar como blanco la expresión de PD-L1 ofrece un enfoque para limitar la progresión del cáncer. La canela es una planta con propiedades medicinales que también se usa comúnmente como especia. Estudios previos indican que la canela tiene múltiples efectos terapéuticos, ya que se utiliza para tratar diversas enfermedades. El propósito de esta investigación es examinar el potencial de los compuestos bioactivos derivados de la canela como posibles agentes de inmunoterapia contra el cáncer mediante la inhibición de la expresión de PD-L1. En la presente investigación, se utilizaron enfoques in silico, que incluyeron el acoplamiento molecular y la predicción de la actividad biológica de los compuestos bioactivos de la canela. Según los hallazgos, el compuesto activo de la canela fue eficaz y tenía el potencial de inhibir la proteína JAK, pero no RAS ni ERK. Además, según las predicciones de la actividad biológica, los compuestos bioactivos de la canela contribuyen como agentes anticancerígenos al presentar altos valores de Pa para diversos parámetros, como antineoplásico, agonista de la apoptosis, inhibidor de la expresión de BRAF, inhibidor de la expresión de JAK2 e inhibidor de Myc, así como bajos valores de Pa para agonistas del M-CSF. Finalmente, se requiere una investigación más detallada sobre los compuestos bioactivos de la canela, en particular el cariofileno.]]></p></abstract>
<kwd-group>
<kwd lng="en"><![CDATA[Cancer-immunotherapy]]></kwd>
<kwd lng="en"><![CDATA[ERK]]></kwd>
<kwd lng="en"><![CDATA[JAK]]></kwd>
<kwd lng="en"><![CDATA[PD-L1]]></kwd>
<kwd lng="en"><![CDATA[RAS]]></kwd>
<kwd lng="es"><![CDATA[Inmunoterapia contra el cáncer]]></kwd>
<kwd lng="es"><![CDATA[ERK]]></kwd>
<kwd lng="es"><![CDATA[JAK]]></kwd>
<kwd lng="es"><![CDATA[PD-L1]]></kwd>
<kwd lng="es"><![CDATA[RAS]]></kwd>
</kwd-group>
</article-meta>
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