@article{Hansur_Louisa_Wuyung_Fadilah_2022, title={Daphnoretin from Carthamus tinctorius as a Potential Inflammatory Inhibitor in COVID-19 by Binding to Toll-like Receptor-4: An in silico Molecular Docking Study}, volume={10}, url={https://oamjms.eu/index.php/mjms/article/view/7961}, DOI={10.3889/oamjms.2022.7961}, abstractNote={<div> <p class="Pa6"><strong><span lang="EN-GB">BACKGROUND: </span></strong><span lang="EN-GB">Cytokine storm in COVID-19 patients has contributed to many morbidities and mortalities in patients. Studies have found that toll-like receptors (TLRs) and some Fc receptors play essential roles in the hyperactivation of the immune system. Up to date, researchers are still in progress to discover effective and safe drugs to alleviate the hyperinflammatory state in COVID-19. The previous studies had shown that <em>Carthamus tinctorius </em>and its bioactive compounds might have anti-inflammatory activities in animal models.</span></p> </div> <div> <p class="Pa6"><strong><span lang="EN-GB">AIM: </span></strong><span lang="EN-GB">We aimed to investigate the possible interactions of several flavonoids from <em>C. tinctorius </em>with several immune system components using a biocomputational approach.</span></p> </div> <div> <p class="Pa6"><strong><span lang="EN-GB">METHODS: </span></strong><span lang="EN-GB">Molecular docking was done using the AutoDock program based on the Kyoto Encyclopedia of Genes and Genomes (KEGG) COVID-19 pathway. The most suitable receptors found were studied to study the interactions with several flavonoids from <em>C. tinctorius</em>.</span></p> </div> <div> <p class="Pa6"><strong><span lang="EN-GB">RESULTS: </span></strong><span lang="EN-GB">TLR4, TLR8, and FcγRIIa were found to bind with SARS CoV2 inflammatory pathway and further selected as macromolecules for potential interactions study with 22 flavonoids from <em>C. tinctorius</em>. Of the 22 flavonoids studied, daphnoretin showed the best binding affinity with TLR4 and Rutin was shown to attach best with FcγRIIa. Unlike its excellent binding to TLR4, daphnoretin showed weak binding to TLR8.</span></p> </div> <div><strong>CONCLUSION: </strong>Daphnoretin showed an excellent affinity with TLR4 and might be a good candidate as an inhibitor in hyperinflammatory reactions in COVID-19 DTLR8.</div>}, number={A}, journal={Open Access Macedonian Journal of Medical Sciences}, author={Hansur, Lismayana and Louisa, Melva and Wuyung, Puspita Eka and Fadilah, Fadilah}, year={2022}, month={Jan.}, pages={220–227} }