Tolessa Duguma, Yadessa Melaku, Akalu Terfa, Kebede Shenkute, Taye B Demissie, Nayang Kgakatsi, Mo Hunsen
{"title":"无瓣荆芥叶提取物的体外抗菌、DPPH自由基清除活性及体外实验研究。","authors":"Tolessa Duguma, Yadessa Melaku, Akalu Terfa, Kebede Shenkute, Taye B Demissie, Nayang Kgakatsi, Mo Hunsen","doi":"10.1515/znc-2025-0003","DOIUrl":null,"url":null,"abstract":"<p><p><i>Rubus apetalus</i> Poir. is a medicinal plant used in Ethiopia to treat different diseases. This study aimed to isolate phytochemicals from the leave<i>s</i> and evaluate their antibacterial and DPPH scavenging activities using <i>in vitro</i> and <i>in silico</i> studies. The GC-MS study resulted in the identification of 16 compounds. Palmitic acid (<b>9</b>), palmityl alcohol (<b>17</b>), <i>β</i>-sitosterol (<b>18</b>), tiliroside (<b>19</b>), and astragalin (<b>20</b>) were isolated using chromatographic techniques and characterized using NMR data. The inhibition zones (IZs) of 100 mg/mL extracts and 5 mg/mL isolated compounds ranged from 9.33 ± 0.47 to 15.07 ± 0.74 mm against all bacteria. Compound <b>18</b> showed better activity against <i>Staphylococcus aureus</i> and <i>Streptococcus pyogenes</i>. Compound <b>19</b> exhibited better activity against <i>Escherichia coli</i> and <i>Pseudomonas aeruginosa</i>. The activity of compound <b>19</b> was supported by molecular docking studies against <i>E</i>. <i>coli</i> DNA gyrase B (-8.0 kcal/mol) and <i>Pseudomonas</i> quinolone signal A (PqsA, -9.5 kcal/mol) for <i>E</i>. <i>coli</i> and <i>P</i>. <i>aeruginosa</i>, respectively. At 62.5 mg/mL, combined fractions 16-21 and compound <b>19</b> showed the lowest (54.5 %) and the highest (89.8 %) DPPH scavenging activity, respectively. The <i>in silico</i> studies indicated that none of the isolated compounds is fatal if swallowed. Therefore, these findings support the traditional use of the plant to treat various bacterial diseases.</p>","PeriodicalId":49344,"journal":{"name":"Zeitschrift Fur Naturforschung Section C-A Journal of Biosciences","volume":" ","pages":""},"PeriodicalIF":1.8000,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"<i>In vitro</i> antibacterial, DPPH radical scavenging activities, and <i>in silico</i> studies of isolated compounds from <i>Rubus apetalus</i> leaves extract.\",\"authors\":\"Tolessa Duguma, Yadessa Melaku, Akalu Terfa, Kebede Shenkute, Taye B Demissie, Nayang Kgakatsi, Mo Hunsen\",\"doi\":\"10.1515/znc-2025-0003\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p><i>Rubus apetalus</i> Poir. is a medicinal plant used in Ethiopia to treat different diseases. This study aimed to isolate phytochemicals from the leave<i>s</i> and evaluate their antibacterial and DPPH scavenging activities using <i>in vitro</i> and <i>in silico</i> studies. The GC-MS study resulted in the identification of 16 compounds. Palmitic acid (<b>9</b>), palmityl alcohol (<b>17</b>), <i>β</i>-sitosterol (<b>18</b>), tiliroside (<b>19</b>), and astragalin (<b>20</b>) were isolated using chromatographic techniques and characterized using NMR data. The inhibition zones (IZs) of 100 mg/mL extracts and 5 mg/mL isolated compounds ranged from 9.33 ± 0.47 to 15.07 ± 0.74 mm against all bacteria. Compound <b>18</b> showed better activity against <i>Staphylococcus aureus</i> and <i>Streptococcus pyogenes</i>. Compound <b>19</b> exhibited better activity against <i>Escherichia coli</i> and <i>Pseudomonas aeruginosa</i>. The activity of compound <b>19</b> was supported by molecular docking studies against <i>E</i>. <i>coli</i> DNA gyrase B (-8.0 kcal/mol) and <i>Pseudomonas</i> quinolone signal A (PqsA, -9.5 kcal/mol) for <i>E</i>. <i>coli</i> and <i>P</i>. <i>aeruginosa</i>, respectively. At 62.5 mg/mL, combined fractions 16-21 and compound <b>19</b> showed the lowest (54.5 %) and the highest (89.8 %) DPPH scavenging activity, respectively. The <i>in silico</i> studies indicated that none of the isolated compounds is fatal if swallowed. Therefore, these findings support the traditional use of the plant to treat various bacterial diseases.</p>\",\"PeriodicalId\":49344,\"journal\":{\"name\":\"Zeitschrift Fur Naturforschung Section C-A Journal of Biosciences\",\"volume\":\" \",\"pages\":\"\"},\"PeriodicalIF\":1.8000,\"publicationDate\":\"2025-06-06\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Zeitschrift Fur Naturforschung Section C-A Journal of Biosciences\",\"FirstCategoryId\":\"99\",\"ListUrlMain\":\"https://doi.org/10.1515/znc-2025-0003\",\"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":"Zeitschrift Fur Naturforschung Section C-A Journal of Biosciences","FirstCategoryId":"99","ListUrlMain":"https://doi.org/10.1515/znc-2025-0003","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}
In vitro antibacterial, DPPH radical scavenging activities, and in silico studies of isolated compounds from Rubus apetalus leaves extract.
Rubus apetalus Poir. is a medicinal plant used in Ethiopia to treat different diseases. This study aimed to isolate phytochemicals from the leaves and evaluate their antibacterial and DPPH scavenging activities using in vitro and in silico studies. The GC-MS study resulted in the identification of 16 compounds. Palmitic acid (9), palmityl alcohol (17), β-sitosterol (18), tiliroside (19), and astragalin (20) were isolated using chromatographic techniques and characterized using NMR data. The inhibition zones (IZs) of 100 mg/mL extracts and 5 mg/mL isolated compounds ranged from 9.33 ± 0.47 to 15.07 ± 0.74 mm against all bacteria. Compound 18 showed better activity against Staphylococcus aureus and Streptococcus pyogenes. Compound 19 exhibited better activity against Escherichia coli and Pseudomonas aeruginosa. The activity of compound 19 was supported by molecular docking studies against E. coli DNA gyrase B (-8.0 kcal/mol) and Pseudomonas quinolone signal A (PqsA, -9.5 kcal/mol) for E. coli and P. aeruginosa, respectively. At 62.5 mg/mL, combined fractions 16-21 and compound 19 showed the lowest (54.5 %) and the highest (89.8 %) DPPH scavenging activity, respectively. The in silico studies indicated that none of the isolated compounds is fatal if swallowed. Therefore, these findings support the traditional use of the plant to treat various bacterial diseases.
期刊介绍:
A Journal of Biosciences: Zeitschrift für Naturforschung C (ZNC) is an international scientific journal and a community resource for the emerging field of natural and natural-like products. The journal publishes original research on the isolation (including structure elucidation), bio-chemical synthesis and bioactivities of natural products, their biochemistry, pharmacology, biotechnology, and their biological activity and innovative developed computational methods for predicting the structure and/or function of natural products. A Journal of Biosciences: Zeitschrift für Naturforschung C (ZNC) welcomes research papers in fields on the chemistry-biology boundary which address scientific ideas and approaches to generate and understand natural compounds on a molecular level and/or use them to stimulate and manipulate biological processes.