Author(s):
Budiastuti Budiastuti, Hani Plumeriastuti, Mustofa Helmi Effendi, Vitra Nuraini Helmi, Emmanuel Nnabuike Ugbo, Wiwiek Tyasningsih, Aswin Rafif Khairullah, Ikechukwu Benjamin Moses
Email(s):
aswinrafif@gmail.com
DOI:
10.52711/0974-360X.2025.00767 
Address:
Budiastuti Budiastuti, Hani Plumeriastuti, Mustofa Helmi Effendi, Vitra Nuraini Helmi, Emmanuel Nnabuike Ugbo, Wiwiek Tyasningsih, Aswin Rafif Khairullah,
Ikechukwu Benjamin Moses
Study Program of Pharmacy Science, Faculty of Health Science, Universitas Muhammadiyah Surabaya, Indonesia.
*Corresponding Author
Published In:
Volume - 18,
Issue - 11,
Year - 2025
ABSTRACT:
The prevalence of dental caries worldwide, including in Indonesia, remains very high, demanding more attention due to pulp pain often caused by bacteria. Ibuprofen and aspirin, common nonsteroidal anti-inflammatory drugs (NSAIDs), alleviate pain and inflammation. However, they come with side effects such as digestive tract disorders. To address this issue, in-silico research was conducted to evaluate the potential of propolis, particularly the compounds quercetin and CAPE, as a safer and more effective alternative for treating inflammation and pain. The focus was on their interaction with the enzyme Cyclooxygenase-2 (COX-2). This study aimed to assess the anti-inflammatory activity of quercetin and CAPE compounds against the COX-2 enzyme through in-silico tests. These compounds were analyzed using physicochemical tests, ADMET tests, and PASS tests to predict their biological activity. The results from molecular docking compared the binding strength and stability of quercetin and CAPE to the COX-2 enzyme against the inhibitors ibuprofen and aspirin to determine their potential for better inhibition. Based on the results of physicochemical, ADMET, and PASS tests, quercetin and CAPE are predicted to be promising candidates for anti-inflammatory drugs. Both quercetin and CAPE have shown significant potential as COX-2 enzyme inhibitors in specific molecular docking assays, with binding affinity values of -10 kcal/mol and -9.1 kcal/mol, respectively, as well as hydrogen bond formation to amino acid residues. In conclusion, the research results indicate that quercetin and CAPE from propolis have the potential as anti-inflammatory drugs because they effectively inhibit the activity of the COX-2 enzyme. Further research is needed using in vivo and in vitro models to specifically test the anti-inflammatory effects of quercetin and CAPE compounds in drug formulations.
Cite this article:
Budiastuti Budiastuti, Hani Plumeriastuti, Mustofa Helmi Effendi, Vitra Nuraini Helmi, Emmanuel Nnabuike Ugbo, Wiwiek Tyasningsih, Aswin Rafif Khairullah,
Ikechukwu Benjamin Moses. Anti-inflammatory Potential of Quercetin and CAPE in Propolis Against Cyclooxygenase 2 (In silico study). Research Journal Pharmacy and Technology. 2025;18(11):5320-8. doi: 10.52711/0974-360X.2025.00767
Cite(Electronic):
Budiastuti Budiastuti, Hani Plumeriastuti, Mustofa Helmi Effendi, Vitra Nuraini Helmi, Emmanuel Nnabuike Ugbo, Wiwiek Tyasningsih, Aswin Rafif Khairullah,
Ikechukwu Benjamin Moses. Anti-inflammatory Potential of Quercetin and CAPE in Propolis Against Cyclooxygenase 2 (In silico study). Research Journal Pharmacy and Technology. 2025;18(11):5320-8. doi: 10.52711/0974-360X.2025.00767 Available on: https://www.rjptonline.org/AbstractView.aspx?PID=2025-18-11-29
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