Propolis Unveiled: Exploring its Potential as a COVID-19 Therapeutic Agent through Network Pharmacology and Molecular Docking Khalish Arsy Al Khairy Siregar(a,b), Paula Mariana Kustiawan(a*), Anissa Nofita Sari(b,c), Feri Eko Hermanto(b,c)
a) Faculty of Pharmacy, Universitas Muhammadiyah Kalimantan Timur, Samarinda, East Borneo 75124, Indonesia
*pmk195[at]umkt.ac.id
b) Bioinformatics Research Center, Indonesian Institute of Bioinformatics (INBIO), Malang, Indonesia
c) Department of Biochemistry, Medical College of Wisconsin, Milwaukee, Wisconsin, 53226 USA
Abstract
This study investigates the potential of propolis, a natural substance, as a COVID-19 treatment. Amid the ongoing pandemic challenges, there^s a growing need for complementary or alternative treatments to combat the virus. While propolis has previously shown antiviral effects against COVID-19, its specific workings in the human body have remained unexplored. To unveil this mechanism, the study employed network pharmacology, molecular docking, and molecular dynamics simulations. The study identified propolis^s target proteins and active components using various databases, and it also mined COVID-19-related genes. Analysis of KEGG pathways and GO enrichment revealed associations with cancer, COVID-19, and AGE-RAGE. A protein interaction network was constructed, highlighting key targets like MAPK1. Docking simulations found that Broussoflavonol F, Glyasperin A, and Sulabiroins had the best binding affinity, surpassing the native ligand, confirming their potential as COVID-19 treatment candidates. Molecular dynamic simulations showed stable behavior of the complexes. In summary, this study suggests that propolis could be a promising COVID-19 treatment, primarily by inhibiting the MAPK1 pathway. However, further research is required to validate these results and develop practical applications to mitigate COVID-19^s impact. This study underscores the importance of network pharmacology and computational models in understanding natural compounds like propolis in the human body, offering potential avenues for future research and treatment strategies.