<?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%">Ahmad Yanuar Safri</style></author><author><style face="normal" font="default" size="100%">Salim Harris</style></author><author><style face="normal" font="default" size="100%">Putera Dewa Haryono</style></author><author><style face="normal" font="default" size="100%">Ariane Benina Budiwan</style></author><author><style face="normal" font="default" size="100%">Eugenia Isadora</style></author><author><style face="normal" font="default" size="100%">Aisyah Fitriannisa Prawiningrum</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%">Unveiling Potential Therapies: Molecular Docking Analysis of CAMKK2 and Its Mutant Variants with CAMKK2 Inhibitors in Indonesian Patients with HIV-Sensory Neuropathy</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%">CAMKK2 inhibitors</style></keyword><keyword><style  face="normal" font="default" size="100%">HIV-SN</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword><keyword><style  face="normal" font="default" size="100%">mutation</style></keyword><keyword><style  face="normal" font="default" size="100%">SNP</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%">February 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%">46-51</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;HIV sensory neuropathy (HIV-SN) is one among many complications that impair patients’ quality of life. Studies in Asian and African populations found that single nucleotide polymorphisms (SNPs) of calcium/ calmodulin-dependent protein kinase 2 (CAMKK2) influence the risk of HIV-SN. This study attempts to explain the influence of CAMKK2 mutations on HIV SN by studying bioinformatics interactions between CAMKK2, its mutants, and their inhibitors by molecular docking with AutoDock in order to observe their interactions with CAMKK2 inhibitors. Results showed that CAMKK2’s binding energy with its native ligand (ATP) is stronger than the mutant variant of CAMKK2MT85 and CAMKK2MT363. Conversely, interaction between CAMKK2 and its inhibitors (KN-93, STO-609, and trifluoperazine) have the lowest mean binding energy compared to CAMKK2MT85 and CAMKK2MT363. This indicates that the mutant variants have weaker interactions with the native ligand and the inhibitors, therefore disrupting the normal function of CAMKK2, its interactions with the inhibitors, while increasing the likelihood of HIV-SN.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">1</style></issue><work-type><style face="normal" font="default" size="100%">Original Article</style></work-type><section><style face="normal" font="default" size="100%">46</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Ahmad Yanuar Safri&lt;sup&gt;1,2,3,&lt;/sup&gt;*, Salim Harris&lt;sup&gt;2,3&lt;/sup&gt;, Putera Dewa Haryono&lt;sup&gt;2,3&lt;/sup&gt;, Ariane Benina Budiwan&lt;sup&gt;2,3&lt;/sup&gt;, Eugenia Isadora&lt;sup&gt;2,3&lt;/sup&gt;, Aisyah Fitriannisa Prawiningrum&lt;sup&gt;4&lt;/sup&gt;, Fadilah Fadilah&lt;sup&gt;4&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 Sciences, Faculty of Medicine Universitas INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Neurology Department, Faculty of Medicine, Universitas Indonesia, Jakarta, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;3&lt;/sup&gt;Neurology Department, Cipto Mangunkusumo Hospital, Jakarta, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;4&lt;/sup&gt;Bioinformatics Core Facilities IMERI, Medical Chemistry Department, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;5&lt;/sup&gt;Faculty of Medicine Universitas Indonesia, Jakarta, INDONESIA.&lt;/p&gt;
</style></auth-address></record><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%">Anse Diana Valentiene Messah</style></author><author><style face="normal" font="default" size="100%">Sawitri Darmiati</style></author><author><style face="normal" font="default" size="100%">Cleopas Marthin Rumende</style></author><author><style face="normal" font="default" size="100%">Retno Ariza Soemarwoto</style></author><author><style face="normal" font="default" size="100%">Joedo Prihartono</style></author><author><style face="normal" font="default" size="100%">Asmarinah</style></author><author><style face="normal" font="default" size="100%">Fadilah Fadilah</style></author><author><style face="normal" font="default" size="100%">Aisyah Fitriannisa Prawiningrum</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Prediction of MMP-9 Polymorphism Impacts on MDR-TB by Molecular Simulation and Network Interaction</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%">Gene polymorphism</style></keyword><keyword><style  face="normal" font="default" size="100%">Matrix metalloproteinase 9</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular simulation.</style></keyword><keyword><style  face="normal" font="default" size="100%">Multidrug resistant TB</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2022</style></year><pub-dates><date><style  face="normal" font="default" size="100%">December 2022</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">14</style></volume><pages><style face="normal" font="default" size="100%">833-841</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;MMP-9 overexpression is associated with a poor outcome in MDR-TB patients, indicating that MMP-9 is a suitable target for MDR-TB therapy. MMP-9 also includes SNPs that occur at inhibitor binding areas as well as zinc ions. As a result of polymorphisms, the usage of MMP-9 inhibitors for MDR-TB might vary. Through molecular simulation, it has been found that the mutant MMP-9 has a larger cavity and a more lipophilic surface. The docking tests revealed that EGTA had the least amount of binding energy to both wild-type and mutant MMP-9. The wildtype MMP-9 can bind zinc when EGTA is in the active site. This shows that using EGTA to chelate Zn is only partially successful. However, the binding energy of EGTA at the active site suggests that it may be a competitor to MMP-9 substrates. On the other hand, Zn is not involved in the interaction of the mutant MMP-9-EGTA complex.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">6</style></issue><work-type><style face="normal" font="default" size="100%">Research Article </style></work-type><section><style face="normal" font="default" size="100%">833</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Anse Diana Valentiene Messah&lt;sup&gt;1&lt;/sup&gt;, Sawitri Darmiati&lt;sup&gt;2&lt;/sup&gt;, Cleopas Marthin Rumende&lt;sup&gt;3&lt;/sup&gt;, Retno Ariza Soemarwoto&lt;sup&gt;4&lt;/sup&gt;, Joedo Prihartono&lt;sup&gt;5&lt;/sup&gt;, Asmarinah&lt;sup&gt;1,6,*&lt;/sup&gt;, Fadilah Fadilah&lt;sup&gt;7,*&lt;/sup&gt;, Aisyah Fitriannisa Prawiningrum&lt;sup&gt;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 Sciences, Faculty of Medicine University of Indonesia, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Department of Radiology, General Hospital Cipto Mangunkusumo, Faculty of Medicine University of Indonesia, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;3&lt;/sup&gt;Department of Internal Medicine Sciences, pulmonology division, Faculty of Medicine, University of Indonesia, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;4&lt;/sup&gt;Department of Pulmonology, General Hospital Abdoel Moelok, Faculty of Medicine University of Lampung, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;5&lt;/sup&gt;Department of Community Medical Sciences, Faculty University of Indonesia Medicine, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;6&lt;/sup&gt;Departement of Medical Biology, Faculty of Medicine Universitas Indonesia, Jakarta, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;7&lt;/sup&gt;Departement of Medical Chemistry, Faculty of Medicine Universitas Indoensia, Jakarta Indonesia.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;8&lt;/sup&gt;Bioinformatics Core Facilities - IMERI, Faculty of Medicine, Universitas Indonesia, Jakarta, INDONESIA.&lt;/p&gt;
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