Biochemical Systematics and Ecology最新文献

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Investigation of an endophytic Streptomyces sp. from the liverwort Bazzania trilobata: A new source for abyssomicins 三叶棘球藻内生链霉菌的研究:一种新的深海菌素来源
IF 1.4 4区 生物学
Biochemical Systematics and Ecology Pub Date : 2025-07-09 DOI: 10.1016/j.bse.2025.105077
Preston K. Manwill , Zach Shank , Thomas Wieboldt , Leah C. Blasiak , Russell T. Hill , Harinantenaina L. Rakotondraibe
{"title":"Investigation of an endophytic Streptomyces sp. from the liverwort Bazzania trilobata: A new source for abyssomicins","authors":"Preston K. Manwill ,&nbsp;Zach Shank ,&nbsp;Thomas Wieboldt ,&nbsp;Leah C. Blasiak ,&nbsp;Russell T. Hill ,&nbsp;Harinantenaina L. Rakotondraibe","doi":"10.1016/j.bse.2025.105077","DOIUrl":"10.1016/j.bse.2025.105077","url":null,"abstract":"<div><div>Liverworts are the most ancient group of land plants and share intimate symbioses with microorganisms, yet their endophytes have remained unexplored as a source of unique compounds. As part of an ongoing search for novel and bioactive compounds from microbial associates of liverworts, an endophytic <em>Streptomyces</em> sp. LH003 cultured from <em>Bazzania trilobata</em> was identified as a new source for abyssomicins. Three compounds, namely abyssomicin 2 (<strong>1</strong>), abyssomicin 4 (<strong>2</strong>), and neoabyssomicin B (<strong>3</strong>) were isolated from the crude ethyl acetate extract of the endophytic <em>Streptomyces</em> sp. fermentation culture using sem-preparative HPLC. The chemical structures of the compounds were established using 1D and 2D NMR, HRESIMS, UV, ECD, and by comparison to published data. This work represents the first study of an endophyte obtained from the liverwort <em>B. trilobata</em>, and the first report of isolated metabolites from a liverwort-associated endophytic bacterium. The discovery of abyssomicins from this unique microbial source broadens the known ecological and taxonomic distribution of these compounds. The production of known antibacterial metabolites by an endophytic bacterium may have implications for microbial interactions within the liverwort. Additionally, this study discusses the distribution pattern of known abyssomicins across different bacterial genera, highlighting the distinct biosynthetic origins of these compounds.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"123 ","pages":"Article 105077"},"PeriodicalIF":1.4,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144596080","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Cytotoxic stilbenoid from the leaves and stems of Cassia nodosa 决明子叶和茎的细胞毒性二苯乙烯类化合物
IF 1.4 4区 生物学
Biochemical Systematics and Ecology Pub Date : 2025-07-08 DOI: 10.1016/j.bse.2025.105081
Qionghui Sun , Limei Yu , Changyan Shao , Chen Qing , Haji Akber Aisa , Rui Zhan , Yegao Chen
{"title":"Cytotoxic stilbenoid from the leaves and stems of Cassia nodosa","authors":"Qionghui Sun ,&nbsp;Limei Yu ,&nbsp;Changyan Shao ,&nbsp;Chen Qing ,&nbsp;Haji Akber Aisa ,&nbsp;Rui Zhan ,&nbsp;Yegao Chen","doi":"10.1016/j.bse.2025.105081","DOIUrl":"10.1016/j.bse.2025.105081","url":null,"abstract":"<div><div>One new stilbene, <em>trans</em>-3,2′-dihydroxy-3′,4′,5-trimethoxy stilbene (<strong>1</strong>), together with seven known ones (<strong>2</strong>–<strong>8</strong>) were isolated from the leaves and stems of <em>Cassia nodosa</em> Buch.-Ham. ex Roxb (Fabaceae). The structure of the new compound was elucidated via analyses of NMR (1 D and 2 D) and HRESIMS data. To the best of our knowledge, all the known compounds were isolated from the genus <em>Cassia</em> for the first time. Cytotoxicity and anti-neuroinflammatory activities assay of the isolated compounds revealed that <strong>1</strong> exhibited significant cytotoxicity superior to the positive control cisplatin against MDA-MB-231 and MCF-7 cell lines. Furthermore, the chemotaxonomic significance of the isolates was also discussed, building upon our previous studies on flavonoids, anthraquinones, terpenoids, and flavan derivatives from <em>C. nodosa</em>, which collectively enrich the phytochemical profile of this species and support its classification within the genus <em>Cassia</em>.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"123 ","pages":"Article 105081"},"PeriodicalIF":1.4,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144572558","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Neolignans from the endangered medicinal plant Magnolia officinalis and their chemotaxonomic significance 濒危药用植物厚朴的新木质素及其化学分类意义
IF 1.4 4区 生物学
Biochemical Systematics and Ecology Pub Date : 2025-07-07 DOI: 10.1016/j.bse.2025.105080
Xin Chen , Jin-Feng Hu , Chun-Xiao Jiang , Ya-Nan Xie , Jiang Wan , Zhong-Duo Yang
{"title":"Neolignans from the endangered medicinal plant Magnolia officinalis and their chemotaxonomic significance","authors":"Xin Chen ,&nbsp;Jin-Feng Hu ,&nbsp;Chun-Xiao Jiang ,&nbsp;Ya-Nan Xie ,&nbsp;Jiang Wan ,&nbsp;Zhong-Duo Yang","doi":"10.1016/j.bse.2025.105080","DOIUrl":"10.1016/j.bse.2025.105080","url":null,"abstract":"<div><div>A phytochemical investigation of the twigs and leaves of the endangered plant <em>Magnolia officinalis</em> (a traditional Chinese medicine and health food, “Houpo”) led to the isolation of 12 neolignans, comprising one previously undescribed compound (<strong>1</strong>), five known oxyneolignans (<strong>2</strong>–<strong>4</strong>, <strong>11</strong>, and <strong>12</strong>), and six biphenyl-type neolignans (<strong>5</strong>–<strong>10</strong>). The structures of these compounds were elucidated using HRESIMS and 1D/2D NMR spectroscopy and corroborated by comparison with literature data. Compound <strong>1</strong> features two obovatol-derived moieties linked directly to an aromatic ring through a C6–C2<em>″</em> bond. Garrettilignan A (<strong>2</strong>) was isolated from the <em>Magnolia officinalis</em> for the first time. Additionally, the chemical classification of the isolated neolignans within <em>Magnolia</em> is discussed.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"123 ","pages":"Article 105080"},"PeriodicalIF":1.4,"publicationDate":"2025-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144570707","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Chemical composition and ecological bioactivity of Citrus sinensis essential oil 柑桔精油的化学成分及生态生物活性研究
IF 1.4 4区 生物学
Biochemical Systematics and Ecology Pub Date : 2025-07-07 DOI: 10.1016/j.bse.2025.105079
Wafa Tayeb , Hayet Edziri , Sarra Elmsehli , Mabrouk Horchani , Saida Bechi , Ikbal Chaieb , Karyme do Socorro de Souza Vilhena , Mozaniel Santana de Oliveira
{"title":"Chemical composition and ecological bioactivity of Citrus sinensis essential oil","authors":"Wafa Tayeb ,&nbsp;Hayet Edziri ,&nbsp;Sarra Elmsehli ,&nbsp;Mabrouk Horchani ,&nbsp;Saida Bechi ,&nbsp;Ikbal Chaieb ,&nbsp;Karyme do Socorro de Souza Vilhena ,&nbsp;Mozaniel Santana de Oliveira","doi":"10.1016/j.bse.2025.105079","DOIUrl":"10.1016/j.bse.2025.105079","url":null,"abstract":"<div><div>The objective of this study is to investigate the chemical composition and multifaceted biological activities of Tunisian <em>Citrus sinensis</em> L. essential oil. The results of the GC–MS analysis indicated that limonene constituted 88.1 % of the oil. Antiradical tests demonstrated notable potential, with IC<sub>50</sub> values of 25.14 μg/mL (DPPH) and 7.58 μg/mL (ABTS). The essential oil demonstrated antibacterial activity against multidrug-resistant strains of <em>Staphylococcus aureus</em> and <em>Pseudomonas aeruginosa</em>, with minimum inhibitory concentration (MIC) values ranging from 1.08 to 8.75 mg/mL, and exhibited effective anticoagulant properties. Insecticidal tests against <em>Tribolium castaneum</em> indicated a mortality rate of 80 % at a dosage of 200 μL, with minimal repellent effects. The allelopathic activity of the essential oil was found to significantly inhibit seed germination and root growth in radish and lettuce. Molecular docking identified <em>trans</em>-limonene oxide and carvone as promising herbicidal agents through effective binding to the HPPD receptor. The findings suggest that <em>C. sinensis</em> essential oil has potential applications in pest management, weed control, and the food and pharmaceutical industries.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"123 ","pages":"Article 105079"},"PeriodicalIF":1.4,"publicationDate":"2025-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144570791","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A new 2-arylbenzofuran derivative and other constituents from Smilax china L. and their chemotaxonomic significance 菝葜中新的2-芳基苯并呋喃衍生物及其化学分类意义
IF 1.4 4区 生物学
Biochemical Systematics and Ecology Pub Date : 2025-07-07 DOI: 10.1016/j.bse.2025.105073
Li-Juan Hu , Xian-Sheng Ye , Kuan Lin , Jie Gao , De-Sen Yang , Guo-Ping Gan , Xi-Ji Shu , Wei Liu , You-Hua Yang
{"title":"A new 2-arylbenzofuran derivative and other constituents from Smilax china L. and their chemotaxonomic significance","authors":"Li-Juan Hu ,&nbsp;Xian-Sheng Ye ,&nbsp;Kuan Lin ,&nbsp;Jie Gao ,&nbsp;De-Sen Yang ,&nbsp;Guo-Ping Gan ,&nbsp;Xi-Ji Shu ,&nbsp;Wei Liu ,&nbsp;You-Hua Yang","doi":"10.1016/j.bse.2025.105073","DOIUrl":"10.1016/j.bse.2025.105073","url":null,"abstract":"<div><div>One previously undescribed 2-arylbenzofuran derivative (<strong>1</strong>), three stilbenes (<strong>2</strong>-<strong>4</strong>), three acetophenone glycosides (<strong>5</strong>–<strong>7</strong>), three phenylpropanoids (<strong>8</strong>–<strong>10</strong>), and eight flavonoids (<strong>11</strong>–<strong>18</strong>) were isolated from the rhizome of <em>Smilax china</em> L. in this study. NMR spectra elucidated their structures and were compared with previously reported data. Compounds <strong>1</strong>, <strong>5</strong>–<strong>7</strong>, <strong>10</strong>, and <strong>18</strong> were identified for the first time in <em>Smilax china</em> L. The cytotoxicity of the isolated compounds was detected on HeLa cells by the CCK-8 method, and compound <strong>4</strong> was found to possess the highest cytotoxic activity with an IC<sub>50</sub> value of 34.81 ± 1.50 μg/mL. Further studies revealed that the cytotoxic effect of compound <strong>4</strong> on HeLa cells was related to apoptosis and the cell cycle. In addition, the chemotaxonomic significance of the isolated compounds was discussed.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"123 ","pages":"Article 105073"},"PeriodicalIF":1.4,"publicationDate":"2025-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144572557","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Influence of seasonal climatic variation on volatile organic compounds of Drimys brasiliensis leaves and its impact on the antitumor activity 季节气候变化对巴西木叶片挥发性有机物的影响及其对抗肿瘤活性的影响
IF 1.4 4区 生物学
Biochemical Systematics and Ecology Pub Date : 2025-07-04 DOI: 10.1016/j.bse.2025.105078
Gabrielle Cruz de Andrade , Wiliam de Lima , Simone Bernardes da Fontoura , Juliana Soares da Costa , Fabiano Silva Locks Júnior , Amanda Köche Marcon , Evelyn Winter , Cristian Soldi
{"title":"Influence of seasonal climatic variation on volatile organic compounds of Drimys brasiliensis leaves and its impact on the antitumor activity","authors":"Gabrielle Cruz de Andrade ,&nbsp;Wiliam de Lima ,&nbsp;Simone Bernardes da Fontoura ,&nbsp;Juliana Soares da Costa ,&nbsp;Fabiano Silva Locks Júnior ,&nbsp;Amanda Köche Marcon ,&nbsp;Evelyn Winter ,&nbsp;Cristian Soldi","doi":"10.1016/j.bse.2025.105078","DOIUrl":"10.1016/j.bse.2025.105078","url":null,"abstract":"<div><div>Understanding the biosynthesis and accumulation of volatile organic compounds in response to seasonal abiotic stress is essential for optimizing essential oil extraction and promoting the conservation of native species through their sustainable use. Accordingly, the present study investigates the yield, chemical composition, and antitumor activity of essential oil from <em>Drimys brasiliensis</em> leaves, analyzing how these characteristics vary in response to climatic conditions throughout the year. The essential oil yield ranging from 0.07 g (January 2019) to 0.30 g (August 2018) per 100 g of fresh leaves. Seasonal analysis showed statistically significant differences with lower yields during the summer, coinciding with the species' flowering phase. The chemical composition of the essential oil included 33 components, with 27 identified. The primary compounds were limonene (14.67–26.21 %), bicyclogermacrene (7.35–21.35 %), sabinene (2.70–9.89 %), β-pinene (6.51–9.21 %), and α-pinene (5.28–7.20 %). Seasonal variation in volatile compound accumulation was observed, with limonene and bicyclogermacrene showing higher levels during the flowering period. Climatic factors, particularly temperature, precipitation, and wind from the current and preceding two months, significantly influenced the relative amounts of specific components, as evidenced by Spearman correlation analysis. The essential oil from leaves sampled in specific months (August 2019, March 2019, January 2019, and December 2018) exhibited antitumor activity against the MDA-MB-231 breast cancer cell line. This study offers new insights into the accumulation of essential oil components, providing guidance for species management focused on sustainable use and conservation.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"123 ","pages":"Article 105078"},"PeriodicalIF":1.4,"publicationDate":"2025-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144549567","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Chemical constituents from the samara of Ailanthus altissima and their chemotaxonomic significance 臭椿翅果的化学成分及其化学分类意义
IF 1.4 4区 生物学
Biochemical Systematics and Ecology Pub Date : 2025-07-01 DOI: 10.1016/j.bse.2025.105075
Changchun Yuan , Yue Li , Zhiqiang Wang , Yuqiang Li , Haixia Ji
{"title":"Chemical constituents from the samara of Ailanthus altissima and their chemotaxonomic significance","authors":"Changchun Yuan ,&nbsp;Yue Li ,&nbsp;Zhiqiang Wang ,&nbsp;Yuqiang Li ,&nbsp;Haixia Ji","doi":"10.1016/j.bse.2025.105075","DOIUrl":"10.1016/j.bse.2025.105075","url":null,"abstract":"<div><div>Through meticulous analysis, the samara of <em>Ailanthus altissima</em> (Mill.) Swingle has been found to contain 12 unique chemical constituents, comprising four quassinoids (<strong>1</strong>–<strong>4</strong>), seven lignans (<strong>5</strong>–<strong>11</strong>) and one anthraquinone (<strong>12</strong>). Of these, a novel quassinoid, compound <strong>1</strong>, was identified by comprehensive analysis of its MS, NMR and ECD data. Significantly, compounds <strong>1</strong>, <strong>5</strong>–<strong>6</strong>, <strong>9</strong> and <strong>12</strong> mark their inaugural detection within the Simaroubaceae family. Furthermore, a compound-family network analysis was conducted to investigate the chemotaxonomic implications of the identified isolates.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"123 ","pages":"Article 105075"},"PeriodicalIF":1.4,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144516906","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Chemical composition, antioxidant, and antibacterial activities of Cladanthus mixtus essential oil 花楸精油的化学成分、抗氧化及抗菌活性
IF 1.4 4区 生物学
Biochemical Systematics and Ecology Pub Date : 2025-06-28 DOI: 10.1016/j.bse.2025.105076
Fatima EL. Kamari , Abdelghani Bouchyoua , Jihane El Amrani , Anjoud Harmouzi , Nor El Houda Tahiri , Amal Sbai , Mohamed El-Shazly , Shaza H. Aly , Abdelfettah El Moussaoui , Badiaa Lyoussi , Driss Ousaaid
{"title":"Chemical composition, antioxidant, and antibacterial activities of Cladanthus mixtus essential oil","authors":"Fatima EL. Kamari ,&nbsp;Abdelghani Bouchyoua ,&nbsp;Jihane El Amrani ,&nbsp;Anjoud Harmouzi ,&nbsp;Nor El Houda Tahiri ,&nbsp;Amal Sbai ,&nbsp;Mohamed El-Shazly ,&nbsp;Shaza H. Aly ,&nbsp;Abdelfettah El Moussaoui ,&nbsp;Badiaa Lyoussi ,&nbsp;Driss Ousaaid","doi":"10.1016/j.bse.2025.105076","DOIUrl":"10.1016/j.bse.2025.105076","url":null,"abstract":"<div><div>Medicinal plants constitute an inexhaustible reservoir of phytochemicals with multiple biological properties that have been evoked traditionally and proven scientifically. The current study was conducted to assess the volatile profile of <em>Cladanthus mixtus</em> essential oil collected from the Guercif region for its aromatic constituents using GC/MS, as well as its antioxidant and antibacterial activities. Chromatographic analysis revealed that the most abundant volatile compound was <em>α</em>-pinene (77.30 %). In the DPPH, FRAP, and ABTS assays, the IC<sub>50</sub> values at 0.41 ± 0.02 mg/ml, 0.98 ± 0.06 mg/ml, and 2.01 ± 0.04 mg/ml, respectively. The essential oil was also effective against <em>S. aureus</em> and <em>C. koseri</em> with MIC value of 0.187 mg/ml for both bacterial strains. The present investigation indicates that <em>C. mixtus</em> can be a potential natural source of bioactive compounds for product-grade antioxidants for pharmaceutical applications.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"123 ","pages":"Article 105076"},"PeriodicalIF":1.4,"publicationDate":"2025-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144502084","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Two new cycloartane glycosides from the aerial parts of Thalictrum simplex subsp. amurense 两个新的环artane苷从Thalictrum simplex亚种的地上部分。amurense
IF 1.4 4区 生物学
Biochemical Systematics and Ecology Pub Date : 2025-06-28 DOI: 10.1016/j.bse.2025.105074
Chiu-Fai Kuok , Min Song , Hou-Tong U , Chi-Lok Chong , Qing-Qian Zeng , Qing-Wen Zhang
{"title":"Two new cycloartane glycosides from the aerial parts of Thalictrum simplex subsp. amurense","authors":"Chiu-Fai Kuok ,&nbsp;Min Song ,&nbsp;Hou-Tong U ,&nbsp;Chi-Lok Chong ,&nbsp;Qing-Qian Zeng ,&nbsp;Qing-Wen Zhang","doi":"10.1016/j.bse.2025.105074","DOIUrl":"10.1016/j.bse.2025.105074","url":null,"abstract":"<div><div>Two new cycloartane glycosides (<strong>1</strong> and <strong>2</strong>) and ten known compounds, including cycloartane glycosides (<strong>3</strong>–<strong>4</strong>), flavonoid glycosides (<strong>5</strong>–<strong>7</strong>), anthraquinones (<strong>8</strong>–<strong>10</strong>), and phenylethanols (<strong>11</strong>–<strong>12</strong>), were isolated from the aerial parts of <em>Thalictrum simplex</em> subsp. <em>amurense</em> (Maxim.) Hand. Their structures were elucidated using comprehensive spectroscopic techniques, including HR-ESI-MS and 2D NMR. Notably, all isolated compounds were reported for the first time from <em>T. simplex</em> subsp. <em>amurense</em>, with compounds <strong>9</strong> and <strong>10</strong> being the first to be found in the family Ranunculaceae. Furthermore, the chemotaxonomic significance of these secondary metabolites is discussed.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"123 ","pages":"Article 105074"},"PeriodicalIF":1.4,"publicationDate":"2025-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144502085","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Micromeria graeca L., essential Oils: In vitro and In silico evaluation 荆芥精油:体外与计算机评价
IF 1.4 4区 生物学
Biochemical Systematics and Ecology Pub Date : 2025-06-24 DOI: 10.1016/j.bse.2025.105071
Mustapha Laghmari , Jihane Touhtouh , Tarik Aanniz , Gökhan Zengin , Abdelhakim Bouyahya , Riaz Ullah , Amal Alotaibi , Mohamed Akhazzane , Taoufiq Benali , Khalil Hammani
{"title":"Micromeria graeca L., essential Oils: In vitro and In silico evaluation","authors":"Mustapha Laghmari ,&nbsp;Jihane Touhtouh ,&nbsp;Tarik Aanniz ,&nbsp;Gökhan Zengin ,&nbsp;Abdelhakim Bouyahya ,&nbsp;Riaz Ullah ,&nbsp;Amal Alotaibi ,&nbsp;Mohamed Akhazzane ,&nbsp;Taoufiq Benali ,&nbsp;Khalil Hammani","doi":"10.1016/j.bse.2025.105071","DOIUrl":"10.1016/j.bse.2025.105071","url":null,"abstract":"<div><div>The discovery of new natural molecules with therapeutic and/or cosmetic properties is a major concern of the pharmaceutical industry. In this sense, volatile compounds from plants have recently attracted significant interest as candidate natural substances. The aims of this research were to identify the volatile compounds of <em>Micromeria graeca</em> essential oil (MGEO) and to study its antimicrobial, antioxidant, and anti-enzymatic effects using <em>in vitro</em> and computational approaches, including molecular docking and molecular dynamics interaction studies. Gas chromatography coupled with mass spectrometry (GC-MS-MS) analysis revealed that MGEO contain 17 chemical compounds which were dominated by citral (29.3 %), neral (16.3 %), and caryophyllene oxide (10.4 %). The disc diffusion method and the broth microdilution techniques demonstrated that MGEO significantly inhibits the growth of <em>Bacillus subtilis</em>, <em>Proteus mirabilis</em>, <em>Staphyloccocus aureus</em>, and <em>Candida albicans</em> which the inhibition zone diameters ranged between 51 and 71 mm and MIC values ranged from 1.56 to superior to 50 mg/mL. The antioxidant effects indicate that MGEO exerts an important activity in 2,2′-diphenyl-1-picrylhydrazyl (DPPH), 2,2- azino-bis-3-ethylbenzothiazoline-6-sulfonic acid (ABTS), ferric reducing antioxidant power (FRAP), cupric ion reducing activity (CUPRAC), ferrous chelating, and phosphomolybdenum models. Indeed, MGEO exerted significant antioxidant activity in several assays, demonstrating antioxidant powers with inhibitory values of 84.02 ± 3.25 mg TE/g of EO (Cuprac), 47.67 ± 0.22 mg TE/g of EO (ABTS), 45.45 ± 0.26 mg TE/g of EO (FRAP), 28.90 ± 1.19 mmol TE/g (Phosphomolybdenum), 22.41 ± 3.00 mg EDTAE/g of EO (Chelating), and 9.04 ± 0.67 mg TE/g of EO (DPPH). Remarkably, MGEO shows good potential to inhibit tyrosinase (41.05 mg KAE/g), butyrylcholinesterase and acetylcholinesterase (2.06 and 1.68 mg GALAE/g, respectively), and α-amylase (0.87 mmol ACAE/g) enzymes. Additionally, the molecular docking study demonstrated that each chemical interacted differently with the active regions of the five different enzymes. Collectively, our findings provides valuable information qualifying the studied plant as an interesting source of bioactive compounds.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"123 ","pages":"Article 105071"},"PeriodicalIF":1.4,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144366292","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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