Shahzadi Bano, Jamal Akhtar Ansari, Farogh Ahsan, Abdul Rahman Khan
{"title":"蒙顶草根的分子对接、植物化学筛选及抗高血脂作用评价。","authors":"Shahzadi Bano, Jamal Akhtar Ansari, Farogh Ahsan, Abdul Rahman Khan","doi":"10.1007/s12013-025-01790-7","DOIUrl":null,"url":null,"abstract":"<p><p>Hyperlipidemia, marked by elevated triglycerides and cholesterol, is linked to degenerative diseases often worsened by free radicals. Balliospermum montanum roots, rich in flavonoids and phenolic compounds, exhibit antioxidant properties, but their antihyperlipidemic potential remains underexplored. This study aimed to extract, fractionate, and analyze the phytochemical composition of B. montanum roots, evaluating their docking, antioxidant, and antihyperlipidemic activities. Extraction was performed using 96% methanol, followed by liquid-liquid fractionation with n-hexane, ethyl acetate, chloroform, and methanol. Phytochemical screening and antioxidant assays were conducted on the methanol extract, with in-silico docking assessing binding interactions of key compounds with target enzymes. Docking revealed Baliospermin and montanin had the highest binding affinity for HMG-CoA reductase and lipase, respectively. Methanol extraction yielded 13.87%, with the methanol fraction producing the highest dried extract (39.37%). Phytochemical analysis identified flavonoids, phenolic compounds, and other bioactive constituents. The ethyl acetate fraction showed the lowest IC<sub>50</sub> values, indicating the strongest antioxidant activity, and exhibited the highest antihyperlipidemic potential. This study highlights the phytochemical composition of B. montanum roots and underscores the significant docking, antioxidant, and antihyperlipidemic properties of its fractions, supporting its potential therapeutic use.</p>","PeriodicalId":510,"journal":{"name":"Cell Biochemistry and Biophysics","volume":" ","pages":""},"PeriodicalIF":2.5000,"publicationDate":"2025-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Molecular Docking, Phytochemical Screening and Evaluation of Balliospermum montanum Roots for its Antihyperlipidemic Potential.\",\"authors\":\"Shahzadi Bano, Jamal Akhtar Ansari, Farogh Ahsan, Abdul Rahman Khan\",\"doi\":\"10.1007/s12013-025-01790-7\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>Hyperlipidemia, marked by elevated triglycerides and cholesterol, is linked to degenerative diseases often worsened by free radicals. Balliospermum montanum roots, rich in flavonoids and phenolic compounds, exhibit antioxidant properties, but their antihyperlipidemic potential remains underexplored. This study aimed to extract, fractionate, and analyze the phytochemical composition of B. montanum roots, evaluating their docking, antioxidant, and antihyperlipidemic activities. Extraction was performed using 96% methanol, followed by liquid-liquid fractionation with n-hexane, ethyl acetate, chloroform, and methanol. Phytochemical screening and antioxidant assays were conducted on the methanol extract, with in-silico docking assessing binding interactions of key compounds with target enzymes. Docking revealed Baliospermin and montanin had the highest binding affinity for HMG-CoA reductase and lipase, respectively. Methanol extraction yielded 13.87%, with the methanol fraction producing the highest dried extract (39.37%). Phytochemical analysis identified flavonoids, phenolic compounds, and other bioactive constituents. The ethyl acetate fraction showed the lowest IC<sub>50</sub> values, indicating the strongest antioxidant activity, and exhibited the highest antihyperlipidemic potential. This study highlights the phytochemical composition of B. montanum roots and underscores the significant docking, antioxidant, and antihyperlipidemic properties of its fractions, supporting its potential therapeutic use.</p>\",\"PeriodicalId\":510,\"journal\":{\"name\":\"Cell Biochemistry and Biophysics\",\"volume\":\" \",\"pages\":\"\"},\"PeriodicalIF\":2.5000,\"publicationDate\":\"2025-06-13\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Cell Biochemistry and Biophysics\",\"FirstCategoryId\":\"99\",\"ListUrlMain\":\"https://doi.org/10.1007/s12013-025-01790-7\",\"RegionNum\":4,\"RegionCategory\":\"生物学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"BIOCHEMISTRY & MOLECULAR BIOLOGY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Cell Biochemistry and Biophysics","FirstCategoryId":"99","ListUrlMain":"https://doi.org/10.1007/s12013-025-01790-7","RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"BIOCHEMISTRY & MOLECULAR BIOLOGY","Score":null,"Total":0}
Molecular Docking, Phytochemical Screening and Evaluation of Balliospermum montanum Roots for its Antihyperlipidemic Potential.
Hyperlipidemia, marked by elevated triglycerides and cholesterol, is linked to degenerative diseases often worsened by free radicals. Balliospermum montanum roots, rich in flavonoids and phenolic compounds, exhibit antioxidant properties, but their antihyperlipidemic potential remains underexplored. This study aimed to extract, fractionate, and analyze the phytochemical composition of B. montanum roots, evaluating their docking, antioxidant, and antihyperlipidemic activities. Extraction was performed using 96% methanol, followed by liquid-liquid fractionation with n-hexane, ethyl acetate, chloroform, and methanol. Phytochemical screening and antioxidant assays were conducted on the methanol extract, with in-silico docking assessing binding interactions of key compounds with target enzymes. Docking revealed Baliospermin and montanin had the highest binding affinity for HMG-CoA reductase and lipase, respectively. Methanol extraction yielded 13.87%, with the methanol fraction producing the highest dried extract (39.37%). Phytochemical analysis identified flavonoids, phenolic compounds, and other bioactive constituents. The ethyl acetate fraction showed the lowest IC50 values, indicating the strongest antioxidant activity, and exhibited the highest antihyperlipidemic potential. This study highlights the phytochemical composition of B. montanum roots and underscores the significant docking, antioxidant, and antihyperlipidemic properties of its fractions, supporting its potential therapeutic use.
期刊介绍:
Cell Biochemistry and Biophysics (CBB) aims to publish papers on the nature of the biochemical and biophysical mechanisms underlying the structure, control and function of cellular systems
The reports should be within the framework of modern biochemistry and chemistry, biophysics and cell physiology, physics and engineering, molecular and structural biology. The relationship between molecular structure and function under investigation is emphasized.
Examples of subject areas that CBB publishes are:
· biochemical and biophysical aspects of cell structure and function;
· interactions of cells and their molecular/macromolecular constituents;
· innovative developments in genetic and biomolecular engineering;
· computer-based analysis of tissues, cells, cell networks, organelles, and molecular/macromolecular assemblies;
· photometric, spectroscopic, microscopic, mechanical, and electrical methodologies/techniques in analytical cytology, cytometry and innovative instrument design
For articles that focus on computational aspects, authors should be clear about which docking and molecular dynamics algorithms or software packages are being used as well as details on the system parameterization, simulations conditions etc. In addition, docking calculations (virtual screening, QSAR, etc.) should be validated either by experimental studies or one or more reliable theoretical cross-validation methods.