Binding affinity screening of polyphenolic compounds in Stachys affinis extract (SAE) for their potential antioxidant and anti-inflammatory effects
Abstract Free radical is a marker in various inflammatory diseases. The antioxidant effect protects us from this damage, which also plays an essential role in preventing inflammation. Inflammation protects the body from biological stimuli, and pro-inflammatory mediators are negatively affected in th...
Saved in:
| Main Authors: | , , , , , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2024-08-01
|
| Series: | Scientific Reports |
| Subjects: | |
| Online Access: | https://doi.org/10.1038/s41598-024-68880-z |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1832571660336627712 |
|---|---|
| author | Hun Hwan Kim Se Hyo Jeong Min Yeong Park Pritam Bhangwan Bhosale Abuyaseer Abusaliya Sang Joon Lee Jeong Doo Heo Hyun Wook Kim Je Kyung Seong Dong Il Kim Kwang Il Park Gon Sup Kim |
| author_facet | Hun Hwan Kim Se Hyo Jeong Min Yeong Park Pritam Bhangwan Bhosale Abuyaseer Abusaliya Sang Joon Lee Jeong Doo Heo Hyun Wook Kim Je Kyung Seong Dong Il Kim Kwang Il Park Gon Sup Kim |
| author_sort | Hun Hwan Kim |
| collection | DOAJ |
| description | Abstract Free radical is a marker in various inflammatory diseases. The antioxidant effect protects us from this damage, which also plays an essential role in preventing inflammation. Inflammation protects the body from biological stimuli, and pro-inflammatory mediators are negatively affected in the immune system. Inflammation caused by LPS is an endotoxin found in the outer membrane of Gram-negative bacteria, which induces immune cells to produce inflammatory cytokines such as cyclooxygenase-2 (COX-2) and inducible nitric oxide synthase. Based on this, the antioxidant and anti-inflammatory effects of plant extracts were investigated. First, the main phenolic compounds for the five peaks obtained from Stachys affinis extract (SAE) were identified. The antioxidant effect of each phenolic compound was confirmed through HPLC analysis before and after the competitive binding reaction between DPPH and the extract. Afterward, the anti-inflammatory effect of each phenolic compound was confirmed through competitive binding between COX2 and the extract in HPLC analysis. Lastly, the anti-inflammatory effect of SAE was confirmed through in vitro experiments and also confirmed in terms of structural binding through molecular docking. This study confirmed that phenolic compounds in SAE extract have potential antioxidant and anti-inflammatory effects, and may provide information for primary screening of medicinal plants. |
| format | Article |
| id | doaj-art-7197287b969c490f839f50eeffd1f465 |
| institution | Kabale University |
| issn | 2045-2322 |
| language | English |
| publishDate | 2024-08-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj-art-7197287b969c490f839f50eeffd1f4652025-02-02T12:24:54ZengNature PortfolioScientific Reports2045-23222024-08-0114111510.1038/s41598-024-68880-zBinding affinity screening of polyphenolic compounds in Stachys affinis extract (SAE) for their potential antioxidant and anti-inflammatory effectsHun Hwan Kim0Se Hyo Jeong1Min Yeong Park2Pritam Bhangwan Bhosale3Abuyaseer Abusaliya4Sang Joon Lee5Jeong Doo Heo6Hyun Wook Kim7Je Kyung Seong8Dong Il Kim9Kwang Il Park10Gon Sup Kim11Research Institute of Life Science and College of Veterinary Medicine, Gyeongsang National UniversityResearch Institute of Life Science and College of Veterinary Medicine, Gyeongsang National UniversityResearch Institute of Life Science and College of Veterinary Medicine, Gyeongsang National UniversityResearch Institute of Life Science and College of Veterinary Medicine, Gyeongsang National UniversityResearch Institute of Life Science and College of Veterinary Medicine, Gyeongsang National UniversityGyeongnam Department of Environment Toxicology and Chemistry, Biological Resources Research Group, Korea Institute of ToxicologyGyeongnam Department of Environment Toxicology and Chemistry, Biological Resources Research Group, Korea Institute of ToxicologyDivision of Animal Bioscience and Intergrated BiotechnologyLaboratory of Developmental Biology and Genomics, BK21 PLUS Program for Creative Veterinary Science Research, Research Institute for Veterinary Science, College of Veterinary Medicine, Seoul National UniversityNamhae Garlic Research InstituteResearch Institute of Life Science and College of Veterinary Medicine, Gyeongsang National UniversityResearch Institute of Life Science and College of Veterinary Medicine, Gyeongsang National UniversityAbstract Free radical is a marker in various inflammatory diseases. The antioxidant effect protects us from this damage, which also plays an essential role in preventing inflammation. Inflammation protects the body from biological stimuli, and pro-inflammatory mediators are negatively affected in the immune system. Inflammation caused by LPS is an endotoxin found in the outer membrane of Gram-negative bacteria, which induces immune cells to produce inflammatory cytokines such as cyclooxygenase-2 (COX-2) and inducible nitric oxide synthase. Based on this, the antioxidant and anti-inflammatory effects of plant extracts were investigated. First, the main phenolic compounds for the five peaks obtained from Stachys affinis extract (SAE) were identified. The antioxidant effect of each phenolic compound was confirmed through HPLC analysis before and after the competitive binding reaction between DPPH and the extract. Afterward, the anti-inflammatory effect of each phenolic compound was confirmed through competitive binding between COX2 and the extract in HPLC analysis. Lastly, the anti-inflammatory effect of SAE was confirmed through in vitro experiments and also confirmed in terms of structural binding through molecular docking. This study confirmed that phenolic compounds in SAE extract have potential antioxidant and anti-inflammatory effects, and may provide information for primary screening of medicinal plants.https://doi.org/10.1038/s41598-024-68880-zHPLC–MS/MSPhenolic compoundsDPPHCOX2iNOSMolecular docking |
| spellingShingle | Hun Hwan Kim Se Hyo Jeong Min Yeong Park Pritam Bhangwan Bhosale Abuyaseer Abusaliya Sang Joon Lee Jeong Doo Heo Hyun Wook Kim Je Kyung Seong Dong Il Kim Kwang Il Park Gon Sup Kim Binding affinity screening of polyphenolic compounds in Stachys affinis extract (SAE) for their potential antioxidant and anti-inflammatory effects Scientific Reports HPLC–MS/MS Phenolic compounds DPPH COX2 iNOS Molecular docking |
| title | Binding affinity screening of polyphenolic compounds in Stachys affinis extract (SAE) for their potential antioxidant and anti-inflammatory effects |
| title_full | Binding affinity screening of polyphenolic compounds in Stachys affinis extract (SAE) for their potential antioxidant and anti-inflammatory effects |
| title_fullStr | Binding affinity screening of polyphenolic compounds in Stachys affinis extract (SAE) for their potential antioxidant and anti-inflammatory effects |
| title_full_unstemmed | Binding affinity screening of polyphenolic compounds in Stachys affinis extract (SAE) for their potential antioxidant and anti-inflammatory effects |
| title_short | Binding affinity screening of polyphenolic compounds in Stachys affinis extract (SAE) for their potential antioxidant and anti-inflammatory effects |
| title_sort | binding affinity screening of polyphenolic compounds in stachys affinis extract sae for their potential antioxidant and anti inflammatory effects |
| topic | HPLC–MS/MS Phenolic compounds DPPH COX2 iNOS Molecular docking |
| url | https://doi.org/10.1038/s41598-024-68880-z |
| work_keys_str_mv | AT hunhwankim bindingaffinityscreeningofpolyphenoliccompoundsinstachysaffinisextractsaefortheirpotentialantioxidantandantiinflammatoryeffects AT sehyojeong bindingaffinityscreeningofpolyphenoliccompoundsinstachysaffinisextractsaefortheirpotentialantioxidantandantiinflammatoryeffects AT minyeongpark bindingaffinityscreeningofpolyphenoliccompoundsinstachysaffinisextractsaefortheirpotentialantioxidantandantiinflammatoryeffects AT pritambhangwanbhosale bindingaffinityscreeningofpolyphenoliccompoundsinstachysaffinisextractsaefortheirpotentialantioxidantandantiinflammatoryeffects AT abuyaseerabusaliya bindingaffinityscreeningofpolyphenoliccompoundsinstachysaffinisextractsaefortheirpotentialantioxidantandantiinflammatoryeffects AT sangjoonlee bindingaffinityscreeningofpolyphenoliccompoundsinstachysaffinisextractsaefortheirpotentialantioxidantandantiinflammatoryeffects AT jeongdooheo bindingaffinityscreeningofpolyphenoliccompoundsinstachysaffinisextractsaefortheirpotentialantioxidantandantiinflammatoryeffects AT hyunwookkim bindingaffinityscreeningofpolyphenoliccompoundsinstachysaffinisextractsaefortheirpotentialantioxidantandantiinflammatoryeffects AT jekyungseong bindingaffinityscreeningofpolyphenoliccompoundsinstachysaffinisextractsaefortheirpotentialantioxidantandantiinflammatoryeffects AT dongilkim bindingaffinityscreeningofpolyphenoliccompoundsinstachysaffinisextractsaefortheirpotentialantioxidantandantiinflammatoryeffects AT kwangilpark bindingaffinityscreeningofpolyphenoliccompoundsinstachysaffinisextractsaefortheirpotentialantioxidantandantiinflammatoryeffects AT gonsupkim bindingaffinityscreeningofpolyphenoliccompoundsinstachysaffinisextractsaefortheirpotentialantioxidantandantiinflammatoryeffects |