Two new ent-kaurane diterpenoids, xerophilusin E (1) and xerophilusin F (2), were isolated from the leaves of Isodon xerophilus. Their structures were determined as 3, 20: 7, 20-diepoxy-ent-kaur-16-en-15-one and 7 bet...Two new ent-kaurane diterpenoids, xerophilusin E (1) and xerophilusin F (2), were isolated from the leaves of Isodon xerophilus. Their structures were determined as 3, 20: 7, 20-diepoxy-ent-kaur-16-en-15-one and 7 beta, 14 beta, 20 (R)-trihydroxy-11 beta-acetoxy-7,20-cyclo-ent-kaur-16-en-6, 15-dione, respectively, by spectral methods and X-ray crystallographic analysis.展开更多
Widely distributed in plants,ent-kaurane diterpenoids could reduce the incidence of inflammatory.The most important active ingredient of Isodon serra(Maxim.)Hara is ent-kaurane diterpenoids,which contribute to the ant...Widely distributed in plants,ent-kaurane diterpenoids could reduce the incidence of inflammatory.The most important active ingredient of Isodon serra(Maxim.)Hara is ent-kaurane diterpenoids,which contribute to the anti-inflammatory pharmacological effects of Isodon serra.However,the ingredients,the active compounds,drug targets,inflammatory targets and exact molecular mechanism of Isodon serra in treating inflammatory are still unclear.The purpose of this study was to use the method of network pharmacological analysis to find the active compounds in Isodon serra.These active compounds match the library of ent-kaurane diterpenoids compounds we established,and we find all the eligible ent-kaurane diterpenoids compounds.Isodon serra related and anti-inflammatory targets were found and then combined to get intersection,which represented potential anti-inflammatory targets of active compounds in Isodon serra.Moreover,anti-inflammatory targets and active compounds targets protein-protein interaction network were merged to get the protein-protein interaction network intersection and core genes in anti-inflammatory target protein-protein interaction network.For the anti-inflammatory targets of Isodon serra,Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway analysis were executed to confirm gene functions of Isodon serra in antagonizing inflammation.Finally,TCMSP analysis identified 10 active compounds out of 48 ent-kaurane.The pathway analysis showed enrichment for different pathways like AGE-RAGE signaling pathway in diabetic complications,small cell lung cancer and human cytomegalovirus infection,which were all connected to inflammatory.On the whole,the proposed method clearly identified the ent-kaurane diterpenoids of Isodon serra and the results gave the active compounds of Isodon serra for the first time.The combining use of the qualitative analysis of traditional Chinese medicine(TCM)and network pharmacological methods could discover potential drug targets and reveal the biological process of TCM,which would open up a new approach in the study of TCM in future.展开更多
文摘Two new ent-kaurane diterpenoids, xerophilusin E (1) and xerophilusin F (2), were isolated from the leaves of Isodon xerophilus. Their structures were determined as 3, 20: 7, 20-diepoxy-ent-kaur-16-en-15-one and 7 beta, 14 beta, 20 (R)-trihydroxy-11 beta-acetoxy-7,20-cyclo-ent-kaur-16-en-6, 15-dione, respectively, by spectral methods and X-ray crystallographic analysis.
基金Hebei Administration of Traditional Chinese Medicine(Grant No.2021133)the Natural Science Foundation of Hebei Province of China(Grant No.H2019206562)the Key Projects of Hebei Education Department(Grant No.ZD2017244)。
文摘Widely distributed in plants,ent-kaurane diterpenoids could reduce the incidence of inflammatory.The most important active ingredient of Isodon serra(Maxim.)Hara is ent-kaurane diterpenoids,which contribute to the anti-inflammatory pharmacological effects of Isodon serra.However,the ingredients,the active compounds,drug targets,inflammatory targets and exact molecular mechanism of Isodon serra in treating inflammatory are still unclear.The purpose of this study was to use the method of network pharmacological analysis to find the active compounds in Isodon serra.These active compounds match the library of ent-kaurane diterpenoids compounds we established,and we find all the eligible ent-kaurane diterpenoids compounds.Isodon serra related and anti-inflammatory targets were found and then combined to get intersection,which represented potential anti-inflammatory targets of active compounds in Isodon serra.Moreover,anti-inflammatory targets and active compounds targets protein-protein interaction network were merged to get the protein-protein interaction network intersection and core genes in anti-inflammatory target protein-protein interaction network.For the anti-inflammatory targets of Isodon serra,Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway analysis were executed to confirm gene functions of Isodon serra in antagonizing inflammation.Finally,TCMSP analysis identified 10 active compounds out of 48 ent-kaurane.The pathway analysis showed enrichment for different pathways like AGE-RAGE signaling pathway in diabetic complications,small cell lung cancer and human cytomegalovirus infection,which were all connected to inflammatory.On the whole,the proposed method clearly identified the ent-kaurane diterpenoids of Isodon serra and the results gave the active compounds of Isodon serra for the first time.The combining use of the qualitative analysis of traditional Chinese medicine(TCM)and network pharmacological methods could discover potential drug targets and reveal the biological process of TCM,which would open up a new approach in the study of TCM in future.
