<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Engla Merizka</style></author><author><style face="normal" font="default" size="100%">Septelia Inawati Wanandi</style></author><author><style face="normal" font="default" size="100%">Budiman Bela</style></author><author><style face="normal" font="default" size="100%">Silvia Tri Widyaningtyas</style></author><author><style face="normal" font="default" size="100%">Fadilah Fadilah</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Comparative Analysis Molecular Simulation IL6R Alpha with TCZ and HIL6: Mechanism in Inflammatory Responses</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Binding affinity</style></keyword><keyword><style  face="normal" font="default" size="100%">HIL6</style></keyword><keyword><style  face="normal" font="default" size="100%">IL6</style></keyword><keyword><style  face="normal" font="default" size="100%">IL6R</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular dynamics.</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2024</style></year><pub-dates><date><style  face="normal" font="default" size="100%">August 2024</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">16</style></volume><pages><style face="normal" font="default" size="100%">738-743</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;&lt;!-- x-tinymce/html --&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Introduction:&lt;/strong&gt; In cases of inflammation, there is typically a connection between IL6R and HIL6. If there is an excessive level of activity in this connection, it can lead to a cytokine storm. Tocilizumab (TCZ), also known as AntiIL-6R, is a biologic drug that is a recombinant humanized monoclonal antibody. It is specifically used to treat inflammatory and autoimmune diseases that are associated with cytokine storms. &lt;strong&gt;Method:&lt;/strong&gt; This study utilizes in silico analysis to assess the ability of TCZ, a biosimilar, to block IL6R and compares it to the blocking effect of HIL6. Validation of the 3D structure of the IL6R was performed using a Ramachandran plot. &lt;strong&gt;Results&lt;/strong&gt;: The IL6R alpha subunit had a validation score of 97.86%, while the IL6R beta subunit had a validation value of 95.54%. The molecular docking analysis reveals that the TCZ light chain forms a complex with IL6R, yielding a docking score of -16.4 kcal mol-1. Similarly, the TCZ heavy chain also interacts with IL6R, resulting in a docking value of -15.5 kcal mol-1. Notably, both scores are higher than the docking score of the control, which involves IL6R with HIL6, measuring -12.5 kcal mol- 1. The root mean square fluctuation (RMSF) value of the IL6R protein in the presence of TCZ (Tocilizumab) is consistently below 2, with an average range of 0.04-0.09. &lt;strong&gt;Conclusion&lt;/strong&gt;: The affinity between IL6R and TCZ is greater than the affinity between IL6R and HIL6.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">4</style></issue><work-type><style face="normal" font="default" size="100%">Original Article</style></work-type><section><style face="normal" font="default" size="100%">738</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p&gt;&lt;!-- x-tinymce/html --&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Engla Merizka&lt;sup&gt;1,2&lt;/sup&gt;, Septelia Inawati Wanandi&lt;sup&gt;3,4*&lt;/sup&gt;, Budiman Bela&lt;sup&gt;5,6&lt;/sup&gt;, Silvia Tri Widyaningtyas&lt;sup&gt;6&lt;/sup&gt;, Fadilah Fadilah&lt;sup&gt;7,8 &lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Doctoral Program in Biomedical Science, Faculty of Medicine,&amp;nbsp;Universitas Indonesia, 10430 Jakarta, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&amp;nbsp;&lt;sup&gt;2&lt;/sup&gt;Diploma Programs for Medical Technology, Faculty of Pharmacy and Science, Universitas Muhammadiyah Prof.DR.HAMKA, Jakarta, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;3&lt;/sup&gt;Molecular Biology and Proteomics Core Facilities, Indonesian Medical Education and Research Institute, Faculty of Medicine, Universitas Indonesia, Jakarta 10430, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;4&lt;/sup&gt;Department of Biochemistry and Molecular Biology, Faculty of Medicine, Universitas Indonesia, Jakarta 10430, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;5&lt;/sup&gt;Department of Microbiology, Faculty of Medicine,&amp;nbsp;Universitas Indonesia, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;6&lt;/sup&gt;Virology and Cancer&amp;nbsp;Pathobiology Research Center, Faculty of Medicine, Universitas Indonesia, 10430 Jakarta, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;7&lt;/sup&gt;Department of Medical Chemistry, Faculty of Medicine,&amp;nbsp;Universitas Indonesia, Jalan Salemba Raya number 4, Jakarta 10430, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;8&lt;/sup&gt;Bioinformatics Core Facilities -&amp;nbsp;IMERI, Faculty of Medicine, Universitas Indonesia, Jalan Salemba Raya number 6, Jakarta 10430, INDONESIA.&lt;/p&gt;
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