Discovery of Bergamotanes against Hepatic Ischemia–Reperfusion Injury Based on DeepSAT Technology from Paraconiothyrium sp. H–B
Hepatic ischemia–reperfusion injury (HIRI) is a common and inevitable complication of liver surgery that induces severe hepatic functional impairment and can trigger multiple organ dysfunction syndrome. From the rice culture of Paraconiothyrium sp. H–B collected from Hypericum wilsonii N. Robson, 11...
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2025
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| _version_ | 1849927644660891648 |
|---|---|
| author | Xinye Huang (22365057) |
| author2 | Xiangli Zhao (16813110) Xiaosheng Tan (8978915) Yeting Zhang (843162) Zhengyi Shi (8978924) Gang Chen (107840) Changxing Qi (1523257) Yonghui Zhang (279832) |
| author2_role | author author author author author author author |
| author_facet | Xinye Huang (22365057) Xiangli Zhao (16813110) Xiaosheng Tan (8978915) Yeting Zhang (843162) Zhengyi Shi (8978924) Gang Chen (107840) Changxing Qi (1523257) Yonghui Zhang (279832) |
| author_role | author |
| dc.creator.none.fl_str_mv | Xinye Huang (22365057) Xiangli Zhao (16813110) Xiaosheng Tan (8978915) Yeting Zhang (843162) Zhengyi Shi (8978924) Gang Chen (107840) Changxing Qi (1523257) Yonghui Zhang (279832) |
| dc.date.none.fl_str_mv | 2025-11-24T13:46:22Z |
| dc.identifier.none.fl_str_mv | 10.1021/acs.jafc.5c10803.s012 |
| dc.relation.none.fl_str_mv | https://figshare.com/articles/dataset/Discovery_of_Bergamotanes_against_Hepatic_Ischemia_Reperfusion_Injury_Based_on_DeepSAT_Technology_from_Paraconiothyrium_sp_H_B/30695146 |
| dc.rights.none.fl_str_mv | CC BY-NC 4.0 info:eu-repo/semantics/openAccess |
| dc.subject.none.fl_str_mv | Biochemistry Neuroscience Biotechnology Virology Environmental Sciences not elsewhere classified Chemical Sciences not elsewhere classified three known congeners pharmacodynamics assays demonstrated hypericum wilsonii n exhibits hepatoprotective effects electronic circular dichroism >- bergamotane sesquiterpenoid 11 novel bergamotane k (< b ameliorate liver function promising leading compound 12 </ b 1 </ b liver surgery via </ type sesquiterpenoids spectroscopic analysis rice culture ray diffraction paraconiothyrium sp neural network inevitable complication deepsat technology deepsat system crystal x clinical management based tool |
| dc.title.none.fl_str_mv | Discovery of Bergamotanes against Hepatic Ischemia–Reperfusion Injury Based on DeepSAT Technology from Paraconiothyrium sp. H–B |
| dc.type.none.fl_str_mv | Dataset info:eu-repo/semantics/publishedVersion dataset |
| description | Hepatic ischemia–reperfusion injury (HIRI) is a common and inevitable complication of liver surgery that induces severe hepatic functional impairment and can trigger multiple organ dysfunction syndrome. From the rice culture of Paraconiothyrium sp. H–B collected from Hypericum wilsonii N. Robson, 11 novel bergamotane-type sesquiterpenoids, paramotanes A-K (<b>1</b>–<b>11</b>), along with three known congeners, were obtained by the guidance of the DeepSAT system (a neural network-based tool for HSQC spectrum analysis). The structures and configurations of these compounds were confirmed <i>via</i> spectroscopic analysis, single-crystal X-ray diffraction, and electronic circular dichroism (ECD) calculations. Notably, compound <b>1</b> is the first reported 10-<i>nor</i>-bergamotane sesquiterpenoid. The pharmacodynamics assays demonstrated that compound <b>12</b> exhibits hepatoprotective effects and can ameliorate liver function in HIRI mice, positioning it as a promising leading compound for developing novel hepatoprotective agents for the clinical management of HIRI. |
| eu_rights_str_mv | openAccess |
| id | Manara_7835deb81569f633af1d7d13f708d27b |
| identifier_str_mv | 10.1021/acs.jafc.5c10803.s012 |
| network_acronym_str | Manara |
| network_name_str | ManaraRepo |
| oai_identifier_str | oai:figshare.com:article/30695146 |
| publishDate | 2025 |
| repository.mail.fl_str_mv | |
| repository.name.fl_str_mv | |
| repository_id_str | |
| rights_invalid_str_mv | CC BY-NC 4.0 |
| spelling | Discovery of Bergamotanes against Hepatic Ischemia–Reperfusion Injury Based on DeepSAT Technology from Paraconiothyrium sp. H–BXinye Huang (22365057)Xiangli Zhao (16813110)Xiaosheng Tan (8978915)Yeting Zhang (843162)Zhengyi Shi (8978924)Gang Chen (107840)Changxing Qi (1523257)Yonghui Zhang (279832)BiochemistryNeuroscienceBiotechnologyVirologyEnvironmental Sciences not elsewhere classifiedChemical Sciences not elsewhere classifiedthree known congenerspharmacodynamics assays demonstratedhypericum wilsonii nexhibits hepatoprotective effectselectronic circular dichroism>- bergamotane sesquiterpenoid11 novel bergamotanek (< bameliorate liver functionpromising leading compound12 </ b1 </ bliver surgeryvia </type sesquiterpenoidsspectroscopic analysisrice cultureray diffractionparaconiothyrium spneural networkinevitable complicationdeepsat technologydeepsat systemcrystal xclinical managementbased toolHepatic ischemia–reperfusion injury (HIRI) is a common and inevitable complication of liver surgery that induces severe hepatic functional impairment and can trigger multiple organ dysfunction syndrome. From the rice culture of Paraconiothyrium sp. H–B collected from Hypericum wilsonii N. Robson, 11 novel bergamotane-type sesquiterpenoids, paramotanes A-K (<b>1</b>–<b>11</b>), along with three known congeners, were obtained by the guidance of the DeepSAT system (a neural network-based tool for HSQC spectrum analysis). The structures and configurations of these compounds were confirmed <i>via</i> spectroscopic analysis, single-crystal X-ray diffraction, and electronic circular dichroism (ECD) calculations. Notably, compound <b>1</b> is the first reported 10-<i>nor</i>-bergamotane sesquiterpenoid. The pharmacodynamics assays demonstrated that compound <b>12</b> exhibits hepatoprotective effects and can ameliorate liver function in HIRI mice, positioning it as a promising leading compound for developing novel hepatoprotective agents for the clinical management of HIRI.2025-11-24T13:46:22ZDatasetinfo:eu-repo/semantics/publishedVersiondataset10.1021/acs.jafc.5c10803.s012https://figshare.com/articles/dataset/Discovery_of_Bergamotanes_against_Hepatic_Ischemia_Reperfusion_Injury_Based_on_DeepSAT_Technology_from_Paraconiothyrium_sp_H_B/30695146CC BY-NC 4.0info:eu-repo/semantics/openAccessoai:figshare.com:article/306951462025-11-24T13:46:22Z |
| spellingShingle | Discovery of Bergamotanes against Hepatic Ischemia–Reperfusion Injury Based on DeepSAT Technology from Paraconiothyrium sp. H–B Xinye Huang (22365057) Biochemistry Neuroscience Biotechnology Virology Environmental Sciences not elsewhere classified Chemical Sciences not elsewhere classified three known congeners pharmacodynamics assays demonstrated hypericum wilsonii n exhibits hepatoprotective effects electronic circular dichroism >- bergamotane sesquiterpenoid 11 novel bergamotane k (< b ameliorate liver function promising leading compound 12 </ b 1 </ b liver surgery via </ type sesquiterpenoids spectroscopic analysis rice culture ray diffraction paraconiothyrium sp neural network inevitable complication deepsat technology deepsat system crystal x clinical management based tool |
| status_str | publishedVersion |
| title | Discovery of Bergamotanes against Hepatic Ischemia–Reperfusion Injury Based on DeepSAT Technology from Paraconiothyrium sp. H–B |
| title_full | Discovery of Bergamotanes against Hepatic Ischemia–Reperfusion Injury Based on DeepSAT Technology from Paraconiothyrium sp. H–B |
| title_fullStr | Discovery of Bergamotanes against Hepatic Ischemia–Reperfusion Injury Based on DeepSAT Technology from Paraconiothyrium sp. H–B |
| title_full_unstemmed | Discovery of Bergamotanes against Hepatic Ischemia–Reperfusion Injury Based on DeepSAT Technology from Paraconiothyrium sp. H–B |
| title_short | Discovery of Bergamotanes against Hepatic Ischemia–Reperfusion Injury Based on DeepSAT Technology from Paraconiothyrium sp. H–B |
| title_sort | Discovery of Bergamotanes against Hepatic Ischemia–Reperfusion Injury Based on DeepSAT Technology from Paraconiothyrium sp. H–B |
| topic | Biochemistry Neuroscience Biotechnology Virology Environmental Sciences not elsewhere classified Chemical Sciences not elsewhere classified three known congeners pharmacodynamics assays demonstrated hypericum wilsonii n exhibits hepatoprotective effects electronic circular dichroism >- bergamotane sesquiterpenoid 11 novel bergamotane k (< b ameliorate liver function promising leading compound 12 </ b 1 </ b liver surgery via </ type sesquiterpenoids spectroscopic analysis rice culture ray diffraction paraconiothyrium sp neural network inevitable complication deepsat technology deepsat system crystal x clinical management based tool |