| dc.description.abstract | Background: Inflammation is the body's biological response to stimuli that can
cause tissue damage. Treatment of inflammation generally uses non-steroidal anti-
inflammatory drugs (NSAIDs), which are at risk of causing side effects such as
gastrointestinal tract irritation. Therefore, an alternative treatment based on natural
ingredients with lower side effects is needed. Cyperus rotundus L. tubers are known
to contain essential oils that have various active compounds with anti-inflammatory
potential, but in-depth studies on their mechanism of action, especially as
cyclooxygenase-2 (COX-2) enzyme inhibitors, are still limited.
Objective: This study aims to identify compounds in essential oil from Cyperus
rotundus L. tubers using GC-MS, evaluate physicochemical testing, potential
pharmacokinetics, toxicity, and biological activity of these compounds, and analyze
their interaction with COX-2 enzyme in silico.
Methods: Essential oils from Cyperus rotundus L. tubers were extracted using
Stahl distillation and analyzed with GC-MS. Identified compounds were evaluated
for biological activity using PASS Online, and pharmacokinetic and toxicity
properties were tested using SwissADME and Protox-II. Molecular docking
analysis was performed against COX-2 receptor using AutoDock Tools and
AutoDock Vina software.
Results: Based on GC-MS analysis revealed 21 major compounds in the essential
oil of Cyperus rotundus L. tuber, which showed high anti-inflammatory potential.
Docking results showed low binding energy (ΔG binding) values, indicating high
affinity to COX-2. These compounds also fulfilled Lipinski's Rule of Five criteria,
had good pharmacokinetic profiles, and showed low levels of toxicity.
Conclusion: The content of compounds contained in the essential oil of Cyperus
rotundus L. tubers has great potential as an anti-inflammatory agent through the
COX-2 inhibition mechanism. This study provides a scientific basis for the
development of natural ingredient-based drugs with minimal side effects. | en_US |
