Network Pharmacology and In Silico Investigation on Saussurea lappa for Viral Respiratory Diseases http://www.doi.org/10.26538/tjnpr/v8i1.26
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Abstract
Respiratory viral diseases are prevalently affecting people of all ages, requiring extensive study into herbal medicine as a potential solution. Therefore, this study aimed to identify the Saussurea lappa (S. lappa) compounds and explain the molecular mechanisms against respiratory viral diseases. The molecular mechanisms of the compound against respiratory viral diseases was determined through network pharmacological methods using Cytoscape 3.10.0, GeneCards, OMIM, STRING 11.0, and the Kyoto Encyclopedia of Genes and Genomes (KEGG) pathways. The interaction of compounds with NFĸB and TNF were analyzed using molecular docking with dexamethasone as a control through PyRx Autodock Vina 9.0 and Biovia Discovery Studio. The results showed that S. lappa compounds activated defense mechanisms against viral infection, impacting genes associated with SARS-CoV-2 disease, and activating NF-κB and NRF2 signaling pathways. The molecular docking results, supporting the network pharmacology finding, indicated that the syrigaresinol compound, with several NF-ĸB binding residues, inhibited the inflammatory pathway by blocking the protein signal. Saussureamine A and C, with lower binding affinities for TNFα, showed higher effectiveness compared to dexamethasone, showing their potential to reduce inflammation. In addition, syrigaresinol and saussureamine A and C showed potential for reducing inflammation. These results showed the potential of S. lappa as an herb for defense against SARS-CoV-2.
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