Y. Feng, G.X. Li, T.T. Hu, W.B. Deng, H.L. Yang, X.T. Wu, X.J. Zheng
{"title":"木村和三乡铁皮石斛总生物碱对胆固醇酯酶的抑制活性和分子机制","authors":"Y. Feng, G.X. Li, T.T. Hu, W.B. Deng, H.L. Yang, X.T. Wu, X.J. Zheng","doi":"10.1556/066.2023.00273","DOIUrl":null,"url":null,"abstract":"This study aimed to explore the inhibitory effect and mechanism of the total alkaloids of Dendrobium officinale Kimura et Migo (DENA) against cholesterol esterase (CE). DENA was characterised by SEM, 1H NMR, and X-ray diffraction (XRD). The inhibitory effect and mechanism of DENA against CE were investigated through fluorescence chromatography, circular dichroism, and molecular docking. DENA inhibited CE activity (IC50 = 1.08 ± 0.09 mg mL−1), characterised by a non-competitive inhibition mechanism. Furthermore, DENA induced a fluorescence quenching in CE, causing a blue shift in the λmax. This coincided with a transition in the secondary structure of CE from a layered to a helical structure by circular dichroism, indicating a significant reduction in its stability. Moreover, molecular docking confirmed that DENA binds to amino acid residues in the enzyme through hydrogen bonds and hydrophobic interactions, leading to structural changes and reduced enzyme activity. These results suggest DENA has the potential to lower blood lipid levels by inhibiting CE activity.","PeriodicalId":6908,"journal":{"name":"Acta Alimentaria","volume":null,"pages":null},"PeriodicalIF":0.8000,"publicationDate":"2024-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Inhibitory activity and molecular mechanism of the total alkaloids of Dendrobium officinale Kimura et Migo against cholesterol esterase\",\"authors\":\"Y. Feng, G.X. Li, T.T. Hu, W.B. Deng, H.L. Yang, X.T. Wu, X.J. Zheng\",\"doi\":\"10.1556/066.2023.00273\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"This study aimed to explore the inhibitory effect and mechanism of the total alkaloids of Dendrobium officinale Kimura et Migo (DENA) against cholesterol esterase (CE). DENA was characterised by SEM, 1H NMR, and X-ray diffraction (XRD). The inhibitory effect and mechanism of DENA against CE were investigated through fluorescence chromatography, circular dichroism, and molecular docking. DENA inhibited CE activity (IC50 = 1.08 ± 0.09 mg mL−1), characterised by a non-competitive inhibition mechanism. Furthermore, DENA induced a fluorescence quenching in CE, causing a blue shift in the λmax. This coincided with a transition in the secondary structure of CE from a layered to a helical structure by circular dichroism, indicating a significant reduction in its stability. Moreover, molecular docking confirmed that DENA binds to amino acid residues in the enzyme through hydrogen bonds and hydrophobic interactions, leading to structural changes and reduced enzyme activity. These results suggest DENA has the potential to lower blood lipid levels by inhibiting CE activity.\",\"PeriodicalId\":6908,\"journal\":{\"name\":\"Acta Alimentaria\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.8000,\"publicationDate\":\"2024-04-09\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Alimentaria\",\"FirstCategoryId\":\"97\",\"ListUrlMain\":\"https://doi.org/10.1556/066.2023.00273\",\"RegionNum\":4,\"RegionCategory\":\"农林科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"FOOD SCIENCE & TECHNOLOGY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Alimentaria","FirstCategoryId":"97","ListUrlMain":"https://doi.org/10.1556/066.2023.00273","RegionNum":4,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"FOOD SCIENCE & TECHNOLOGY","Score":null,"Total":0}
Inhibitory activity and molecular mechanism of the total alkaloids of Dendrobium officinale Kimura et Migo against cholesterol esterase
This study aimed to explore the inhibitory effect and mechanism of the total alkaloids of Dendrobium officinale Kimura et Migo (DENA) against cholesterol esterase (CE). DENA was characterised by SEM, 1H NMR, and X-ray diffraction (XRD). The inhibitory effect and mechanism of DENA against CE were investigated through fluorescence chromatography, circular dichroism, and molecular docking. DENA inhibited CE activity (IC50 = 1.08 ± 0.09 mg mL−1), characterised by a non-competitive inhibition mechanism. Furthermore, DENA induced a fluorescence quenching in CE, causing a blue shift in the λmax. This coincided with a transition in the secondary structure of CE from a layered to a helical structure by circular dichroism, indicating a significant reduction in its stability. Moreover, molecular docking confirmed that DENA binds to amino acid residues in the enzyme through hydrogen bonds and hydrophobic interactions, leading to structural changes and reduced enzyme activity. These results suggest DENA has the potential to lower blood lipid levels by inhibiting CE activity.
期刊介绍:
Acta Alimentaria publishes original papers and reviews on food science (physics, physical chemistry, chemistry, analysis, biology, microbiology, enzymology, engineering, instrumentation, automation and economics of foods, food production and food technology, food quality, post-harvest treatments, food safety and nutrition).