Prediction of ADMET profile and anti-inflammatory potential of chamuangone
Abstract Chamuangone, a compound extracted from the leaves of Garcinia cowa, exhibits various biological activities. Yet, its absorption, distribution, metabolism, excretion, and toxicity (ADMET) profile as well as anti-inflammatory effects in macrophages remain unexplored. In this study, we employe...
Saved in:
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-01-01
|
| Series: | Scientific Reports |
| Subjects: | |
| Online Access: | https://doi.org/10.1038/s41598-025-86809-y |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1832585840169058304 |
|---|---|
| author | Sompot Jantarawong Puripat Wathanaphanit Pharkphoom Panichayupakaranant Yutthana Pengjam |
| author_facet | Sompot Jantarawong Puripat Wathanaphanit Pharkphoom Panichayupakaranant Yutthana Pengjam |
| author_sort | Sompot Jantarawong |
| collection | DOAJ |
| description | Abstract Chamuangone, a compound extracted from the leaves of Garcinia cowa, exhibits various biological activities. Yet, its absorption, distribution, metabolism, excretion, and toxicity (ADMET) profile as well as anti-inflammatory effects in macrophages remain unexplored. In this study, we employed a computational tool to predict the ADMET profile of chamuangone and performed molecular docking simulations to assess its interactions with key proteins involved in inflammatory pathways. Additionally, in vitro experiments using lipopolysaccharide (LPS)-induced RAW264.7 macrophages were performed to evaluate its anti-inflammatory effects. The present findings suggest that chamuangone has favorable ADMET properties, interacts strongly with major proteins involved in inflammation, and exhibits anti-inflammatory activity in LPS-induced macrophages, making it a promising anti-inflammatory agent. |
| format | Article |
| id | doaj-art-44d45575f3984d2eade3e80aeb14dd2b |
| institution | Kabale University |
| issn | 2045-2322 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj-art-44d45575f3984d2eade3e80aeb14dd2b2025-01-26T12:27:40ZengNature PortfolioScientific Reports2045-23222025-01-0115111510.1038/s41598-025-86809-yPrediction of ADMET profile and anti-inflammatory potential of chamuangoneSompot Jantarawong0Puripat Wathanaphanit1Pharkphoom Panichayupakaranant2Yutthana Pengjam3Faculty of Medical Technology, Prince of Songkla UniversityFaculty of Medical Technology, Prince of Songkla UniversityDepartment of Pharmacognosy and Pharmaceutical Botany, Faculty of Pharmaceutical Sciences, Prince of Songkla UniversityFaculty of Medical Technology, Prince of Songkla UniversityAbstract Chamuangone, a compound extracted from the leaves of Garcinia cowa, exhibits various biological activities. Yet, its absorption, distribution, metabolism, excretion, and toxicity (ADMET) profile as well as anti-inflammatory effects in macrophages remain unexplored. In this study, we employed a computational tool to predict the ADMET profile of chamuangone and performed molecular docking simulations to assess its interactions with key proteins involved in inflammatory pathways. Additionally, in vitro experiments using lipopolysaccharide (LPS)-induced RAW264.7 macrophages were performed to evaluate its anti-inflammatory effects. The present findings suggest that chamuangone has favorable ADMET properties, interacts strongly with major proteins involved in inflammation, and exhibits anti-inflammatory activity in LPS-induced macrophages, making it a promising anti-inflammatory agent.https://doi.org/10.1038/s41598-025-86809-yChamuangoneMacrophageADMETInflammationMolecular docking |
| spellingShingle | Sompot Jantarawong Puripat Wathanaphanit Pharkphoom Panichayupakaranant Yutthana Pengjam Prediction of ADMET profile and anti-inflammatory potential of chamuangone Scientific Reports Chamuangone Macrophage ADMET Inflammation Molecular docking |
| title | Prediction of ADMET profile and anti-inflammatory potential of chamuangone |
| title_full | Prediction of ADMET profile and anti-inflammatory potential of chamuangone |
| title_fullStr | Prediction of ADMET profile and anti-inflammatory potential of chamuangone |
| title_full_unstemmed | Prediction of ADMET profile and anti-inflammatory potential of chamuangone |
| title_short | Prediction of ADMET profile and anti-inflammatory potential of chamuangone |
| title_sort | prediction of admet profile and anti inflammatory potential of chamuangone |
| topic | Chamuangone Macrophage ADMET Inflammation Molecular docking |
| url | https://doi.org/10.1038/s41598-025-86809-y |
| work_keys_str_mv | AT sompotjantarawong predictionofadmetprofileandantiinflammatorypotentialofchamuangone AT puripatwathanaphanit predictionofadmetprofileandantiinflammatorypotentialofchamuangone AT pharkphoompanichayupakaranant predictionofadmetprofileandantiinflammatorypotentialofchamuangone AT yutthanapengjam predictionofadmetprofileandantiinflammatorypotentialofchamuangone |