Predicting Potential Molecular Mechanisms of Crataegi Fructus in the Treatment of Coronary Heart Disease Based on Network Pharmacology and Molecular Docking Technology
This study explored the active ingredients and mechanism of action of Crataegi Fructus in the treatment of coronary heart disease through network pharmacology and molecular docking technology. With the help of TCMSP, Gene Cards, OMIM and other databases to collect target information, the STRING data...
| Main Authors: | , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Academy of National Food and Strategic Reserves Administration
2022-11-01
|
| Series: | Liang you shipin ke-ji |
| Subjects: | |
| Online Access: | http://lyspkj.ijournal.cn/lyspkj/article/abstract/20220615?st=article_issue |
| _version_ | 1797895367359987712 |
|---|---|
| author | YANG Min MENG Fan-ying SUN Hui YANG Bo-rong LIU Meng-xing CHEN Jie FAN Ao LIU Yuan |
| author_facet | YANG Min MENG Fan-ying SUN Hui YANG Bo-rong LIU Meng-xing CHEN Jie FAN Ao LIU Yuan |
| author_sort | YANG Min |
| collection | DOAJ |
| description | This study explored the active ingredients and mechanism of action of Crataegi Fructus in the treatment of coronary heart disease through network pharmacology and molecular docking technology. With the help of TCMSP, Gene Cards, OMIM and other databases to collect target information, the STRING database was used to construct a PPI network diagram, perform GO and KEGG pathway enrichment analysis on the common target, and finally molecularly dock the active ingredient with the core target to initially verify the network pharmacology results. In this study, a total of 6 Crataegi Fructus active ingredients (sitosterol, kaempferol, stigmasterol, quercetin, ent-Epicatechin, isorhamnetin) and 10 Crataegi Fructus core targets for the treatement of coronary heart disease (JUN, AKT1, TNF, MAPK1, TP53, RELA, IL6, MAPK8, MAPK14, EGFR) were screened; KEGG pathway enrichment results showed that Crataegi Fructus prevention and treatment of coronary heart disease pathway involved pathway in cancer, AGE-RAGE signaling pathway in diabetic complications, hepatitis B, MAPK signaling pathway, etc.; Molecular docking results showed that quercetin, isorhamnetin and kaempferol all had good binding to the core target. It is speculated that these components may be the main active components for the treatment of coronary heart disease. This study revealed that Crataegi Fructus may treat coronary heart disease through multiple components (isorhamnetin, kaempferol, quercetin), acting on key targets such as MAPK8, MAPK1, RELA, and regulating multiple signaling pathways such as MAPK. It preliminarily revealed the potential mechanism of Crataegi Fructus in the treatment of coronary heart disease. |
| first_indexed | 2024-04-10T07:25:28Z |
| format | Article |
| id | doaj.art-bdca29a643144a3ba83bcaea71b32c7a |
| institution | Directory Open Access Journal |
| issn | 1007-7561 |
| language | English |
| last_indexed | 2024-04-10T07:25:28Z |
| publishDate | 2022-11-01 |
| publisher | Academy of National Food and Strategic Reserves Administration |
| record_format | Article |
| series | Liang you shipin ke-ji |
| spelling | doaj.art-bdca29a643144a3ba83bcaea71b32c7a2023-02-24T08:03:39ZengAcademy of National Food and Strategic Reserves AdministrationLiang you shipin ke-ji1007-75612022-11-0130611412310.16210/j.cnki.1007-7561.2022.06.014Predicting Potential Molecular Mechanisms of Crataegi Fructus in the Treatment of Coronary Heart Disease Based on Network Pharmacology and Molecular Docking TechnologyYANG Min0MENG Fan-ying1SUN Hui2YANG Bo-rong3LIU Meng-xing4CHEN Jie5FAN Ao6LIU Yuan7Pharmacy Department, The Third People’s Hospital of Kunming, Kunming, Yunnan 650041, ChinaCollege of Pharmaceutical Science, Yunnan University of Traditional Chinese Medicine, Kunming, Yunnan 650500, ChinaPharmacy Department, The Third People’s Hospital of Kunming, Kunming, Yunnan 650041, ChinaPharmacy Department, Kunming Traditional Chinese Medicine Hospital, Kunming, Yunnan 650500, ChinaPharmacy Department, The Third People’s Hospital of Kunming, Kunming, Yunnan 650041, ChinaPharmacy Department, The Third People’s Hospital of Kunming, Kunming, Yunnan 650041, ChinaPharmacy Department, The Third People’s Hospital of Kunming, Kunming, Yunnan 650041, ChinaPharmacy Department, The Third People’s Hospital of Kunming, Kunming, Yunnan 650041, ChinaThis study explored the active ingredients and mechanism of action of Crataegi Fructus in the treatment of coronary heart disease through network pharmacology and molecular docking technology. With the help of TCMSP, Gene Cards, OMIM and other databases to collect target information, the STRING database was used to construct a PPI network diagram, perform GO and KEGG pathway enrichment analysis on the common target, and finally molecularly dock the active ingredient with the core target to initially verify the network pharmacology results. In this study, a total of 6 Crataegi Fructus active ingredients (sitosterol, kaempferol, stigmasterol, quercetin, ent-Epicatechin, isorhamnetin) and 10 Crataegi Fructus core targets for the treatement of coronary heart disease (JUN, AKT1, TNF, MAPK1, TP53, RELA, IL6, MAPK8, MAPK14, EGFR) were screened; KEGG pathway enrichment results showed that Crataegi Fructus prevention and treatment of coronary heart disease pathway involved pathway in cancer, AGE-RAGE signaling pathway in diabetic complications, hepatitis B, MAPK signaling pathway, etc.; Molecular docking results showed that quercetin, isorhamnetin and kaempferol all had good binding to the core target. It is speculated that these components may be the main active components for the treatment of coronary heart disease. This study revealed that Crataegi Fructus may treat coronary heart disease through multiple components (isorhamnetin, kaempferol, quercetin), acting on key targets such as MAPK8, MAPK1, RELA, and regulating multiple signaling pathways such as MAPK. It preliminarily revealed the potential mechanism of Crataegi Fructus in the treatment of coronary heart disease.http://lyspkj.ijournal.cn/lyspkj/article/abstract/20220615?st=article_issuecrataegi fructuscoronary heart diseasenetwork pharmacologymolecular docking technologymechanism |
| spellingShingle | YANG Min MENG Fan-ying SUN Hui YANG Bo-rong LIU Meng-xing CHEN Jie FAN Ao LIU Yuan Predicting Potential Molecular Mechanisms of Crataegi Fructus in the Treatment of Coronary Heart Disease Based on Network Pharmacology and Molecular Docking Technology Liang you shipin ke-ji crataegi fructus coronary heart disease network pharmacology molecular docking technology mechanism |
| title | Predicting Potential Molecular Mechanisms of Crataegi Fructus in the Treatment of Coronary Heart Disease Based on Network Pharmacology and Molecular Docking Technology |
| title_full | Predicting Potential Molecular Mechanisms of Crataegi Fructus in the Treatment of Coronary Heart Disease Based on Network Pharmacology and Molecular Docking Technology |
| title_fullStr | Predicting Potential Molecular Mechanisms of Crataegi Fructus in the Treatment of Coronary Heart Disease Based on Network Pharmacology and Molecular Docking Technology |
| title_full_unstemmed | Predicting Potential Molecular Mechanisms of Crataegi Fructus in the Treatment of Coronary Heart Disease Based on Network Pharmacology and Molecular Docking Technology |
| title_short | Predicting Potential Molecular Mechanisms of Crataegi Fructus in the Treatment of Coronary Heart Disease Based on Network Pharmacology and Molecular Docking Technology |
| title_sort | predicting potential molecular mechanisms of crataegi fructus in the treatment of coronary heart disease based on network pharmacology and molecular docking technology |
| topic | crataegi fructus coronary heart disease network pharmacology molecular docking technology mechanism |
| url | http://lyspkj.ijournal.cn/lyspkj/article/abstract/20220615?st=article_issue |
| work_keys_str_mv | AT yangmin predictingpotentialmolecularmechanismsofcrataegifructusinthetreatmentofcoronaryheartdiseasebasedonnetworkpharmacologyandmoleculardockingtechnology AT mengfanying predictingpotentialmolecularmechanismsofcrataegifructusinthetreatmentofcoronaryheartdiseasebasedonnetworkpharmacologyandmoleculardockingtechnology AT sunhui predictingpotentialmolecularmechanismsofcrataegifructusinthetreatmentofcoronaryheartdiseasebasedonnetworkpharmacologyandmoleculardockingtechnology AT yangborong predictingpotentialmolecularmechanismsofcrataegifructusinthetreatmentofcoronaryheartdiseasebasedonnetworkpharmacologyandmoleculardockingtechnology AT liumengxing predictingpotentialmolecularmechanismsofcrataegifructusinthetreatmentofcoronaryheartdiseasebasedonnetworkpharmacologyandmoleculardockingtechnology AT chenjie predictingpotentialmolecularmechanismsofcrataegifructusinthetreatmentofcoronaryheartdiseasebasedonnetworkpharmacologyandmoleculardockingtechnology AT fanao predictingpotentialmolecularmechanismsofcrataegifructusinthetreatmentofcoronaryheartdiseasebasedonnetworkpharmacologyandmoleculardockingtechnology AT liuyuan predictingpotentialmolecularmechanismsofcrataegifructusinthetreatmentofcoronaryheartdiseasebasedonnetworkpharmacologyandmoleculardockingtechnology |