Pub Date : 2026-01-09DOI: 10.1016/j.bse.2026.105216
Xin-Yu Chen , Meng-Li He , Wan-Wan Yu , Yang Liu , Yong-Ming Luo , Ling-Ying Huang , Zhi-Ping Li , Fang-You Chen
Phytochemical research on the whole plants of Chloranthus sessilifolius K.F.Wu yielded a total of twenty compounds, including nine diterpenoids (1–9), three sesquiterpenoids (10–12), three flavones (13–15), a benzofuran derivative (16), an indole derivative (17), two amides (18–19), and a coumarin hybrid (20). Their structures were established by means of spectroscopic analysis. Among them, compounds 3–5, 7–13, and 15–20 were isolated from C. sessilifolius for the first time. In addition, the chemotaxonomic significance of the above-mentioned compounds was discussed.
{"title":"Chemical constituents with chemotaxonomic significance from the whole plants of Chloranthus sessilifolius K.F.Wu","authors":"Xin-Yu Chen , Meng-Li He , Wan-Wan Yu , Yang Liu , Yong-Ming Luo , Ling-Ying Huang , Zhi-Ping Li , Fang-You Chen","doi":"10.1016/j.bse.2026.105216","DOIUrl":"10.1016/j.bse.2026.105216","url":null,"abstract":"<div><div>Phytochemical research on the whole plants of <em>Chloranthus sessilifolius</em> K.F.Wu yielded a total of twenty compounds, including nine diterpenoids (<strong>1</strong>–<strong>9</strong>), three sesquiterpenoids (<strong>10</strong>–<strong>12</strong>), three flavones (<strong>13</strong>–<strong>15</strong>), a benzofuran derivative (<strong>16</strong>), an indole derivative (<strong>17</strong>), two amides (<strong>18</strong>–<strong>19</strong>), and a coumarin hybrid (<strong>20</strong>). Their structures were established by means of spectroscopic analysis. Among them, compounds <strong>3</strong>–<strong>5</strong>, <strong>7</strong>–<strong>13</strong>, and <strong>15</strong>–<strong>20</strong> were isolated from <em>C. sessilifolius</em> for the first time. In addition, the chemotaxonomic significance of the above-mentioned compounds was discussed.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"126 ","pages":"Article 105216"},"PeriodicalIF":2.0,"publicationDate":"2026-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145939811","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}
Pub Date : 2026-01-06DOI: 10.1016/j.bse.2026.105214
Dina E. Abdelhay , Yhiya Amen , Ahmed R. Ali , Marwa Elsbaey , Madiha A. Hassan
Echinochloa colona (L.) Link (Poaceae) is considered one of the world's most problematic grass weeds, impacting numerous crops globally. Phytochemical investigation of the entire plant using TLC and column chromatography has led to the isolation of nine compounds. Based on NMR spectroscopy, they were identified as tricin (1), tricin 7-O-β-D-glucoside (2), a mixture of salcolin C & D (3), salcolin A (4), aegicin A (5), tachioside (6), a mixture of β-sitosterol & stigmasterol (7), β-sitosterol-3-O-β-D-glucoside (8), and docosanoic acid (9). Compounds 2–6 and 9 are reported for the first time in the genus Echinochloa, while 7b and 8 are newly identified in E. colona. The chemotaxonomic significance of 1–9 has been discussed revealing compounds 1–5 of potential chemotaxonomic significance. In vitro COX-2 inhibition assay identified compounds 9 and 5 as the most active, with IC50 values of 0.945 μM and 1.222 μM, respectively, compared to celecoxib (0.366 μM). Molecular docking revealed that compound 1 exhibited strong binding affinity at the COX-2 active site, followed by compounds 6 and 9, supporting their potential as anti-inflammatory agents. Pharmacokinetic profiling of compound 1 indicated favorable ADME properties, including high gastrointestinal absorption, good bioavailability, and no violations of Lipinski's rules or PAINS alerts. These findings highlight the therapeutic potential of E. colona metabolites in inflammation-related disorders.
棘球藻（L.）链接（禾本科）被认为是世界上最成问题的杂草之一，影响全球许多作物。利用薄层色谱和柱层析对整个植物进行了植物化学研究，分离出9个化合物。经核磁共振鉴定为tricin(1)、tricin 7- o -β-D-葡萄糖苷(2)、salcolin C &； D(3)、salcolin a(4)、aegicin a(5)、tachio苷(6)、β-谷甾醇&豆头甾醇(7)、β-谷甾醇-3- o -β-D-葡萄糖苷(8)和docosanic酸(9)的混合物。其中化合物2 ~ 6和9为首次从棘藻属中分离得到，化合物7b和8为新从大肠杆菌中分离得到。对化合物1-9的化学分类意义进行了讨论，揭示了化合物1-5具有潜在的化学分类意义。体外COX-2抑制实验表明，化合物9和5的IC50值分别为0.945 μM和1.222 μM，而塞来昔布的IC50值为0.366 μM。分子对接发现，化合物1在COX-2活性位点具有较强的结合亲和力，其次是化合物6和9，支持其作为抗炎药的潜力。化合物1的药代动力学分析显示了良好的ADME特性，包括高胃肠道吸收，良好的生物利用度，不违反Lipinski规则或PAINS警报。这些发现强调了大肠杆菌代谢物在炎症相关疾病中的治疗潜力。
{"title":"Echinochloa colona (L.) Link: Chemical constituents, in vitro COX-2 inhibitory activity and in silico study","authors":"Dina E. Abdelhay , Yhiya Amen , Ahmed R. Ali , Marwa Elsbaey , Madiha A. Hassan","doi":"10.1016/j.bse.2026.105214","DOIUrl":"10.1016/j.bse.2026.105214","url":null,"abstract":"<div><div><em>Echinochloa colona</em> (L.) Link (Poaceae) is considered one of the world's most problematic grass weeds, impacting numerous crops globally. Phytochemical investigation of the entire plant using TLC and column chromatography has led to the isolation of nine compounds. Based on NMR spectroscopy, they were identified as tricin <strong>(1)</strong>, tricin 7-O-<em>β</em>-D-glucoside <strong>(2)</strong>, a mixture of salcolin C & D <strong>(3)</strong>, salcolin A <strong>(4)</strong>, aegicin A <strong>(5)</strong>, tachioside <strong>(6)</strong>, a mixture of <em>β</em>-sitosterol & stigmasterol <strong>(7)</strong>, <em>β</em>-sitosterol-3-O-<em>β</em>-D-glucoside <strong>(8)</strong>, and docosanoic acid <strong>(9)</strong>. Compounds <strong>2</strong>–<strong>6</strong> and <strong>9</strong> are reported for the first time in the genus <em>Echinochloa</em>, while <strong>7b</strong> and <strong>8</strong> are newly identified in <em>E. colona</em>. The chemotaxonomic significance of <strong>1</strong>–<strong>9</strong> has been discussed revealing compounds <strong>1</strong>–<strong>5</strong> of potential chemotaxonomic significance. <em>In vitro</em> COX-2 inhibition assay identified compounds <strong>9</strong> and <strong>5</strong> as the most active, with IC<sub>50</sub> values of 0.945 μM and 1.222 μM, respectively, compared to celecoxib (0.366 μM). Molecular docking revealed that compound <strong>1</strong> exhibited strong binding affinity at the COX-2 active site, followed by compounds <strong>6</strong> and <strong>9</strong>, supporting their potential as anti-inflammatory agents. Pharmacokinetic profiling of compound <strong>1</strong> indicated favorable ADME properties, including high gastrointestinal absorption, good bioavailability, and no violations of Lipinski's rules or PAINS alerts. These findings highlight the therapeutic potential of <em>E. colona</em> metabolites in inflammation-related disorders.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"126 ","pages":"Article 105214"},"PeriodicalIF":2.0,"publicationDate":"2026-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145939812","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}
Dracocephalum multicaule is a valuable medicinal and aromatic plant belonging to the Lamiaceae family. Its essential oils exhibit anticholinesterase, antioxidant, antimicrobial, anti-inflammatory, and neuroprotective activities, making them suitable for pharmaceutical and food industry applications. However, the optimal harvest time for maximizing essential oil yield and quality remains unclear. This study aimed to evaluate variations in essential oil content and composition of D. multicaule at different phenological stages to determine the most suitable harvest period. Plant samples were collected in 2023 at eight distinct phenological stages, ranging from vegetative growth to the ripe seed stage. Essential oils were extracted by hydrodistillation using a Clevenger-type apparatus and analyzed by gas chromatography-mass spectrometry (GC-MS). Essential oil content varied significantly across phenological stages, ranging from 0.50 % to 0.72 % (w/w). The highest essential oil content (0.72 % w/w) was observed at the 75 % flowering stage, with no statistically significant differences compared to the 50 % flowering (0.69 %) and full flowering (0.62 %) stages. Seven major compounds were identified, accounting for 96.10 %–99.16 % of the total essential oil composition. The predominant constituents were perilla aldehyde (40.03–65.29 %), limonene (23.06–37.65 %), α-pinene (2.28–5.08 %), and carvone (1.10–20.79 %). Perilla aldehyde reached its maximum concentration (65.29 %) at the 75 % flowering stage, whereas limonene was highest at the ripe seed stage. Considering both essential oil yield and chemical composition, the 75 % flowering stage was identified as the optimal harvest time for D. multicaule, providing superior oil content and a favorable phytochemical profile for pharmaceutical and industrial uses.
{"title":"Changes in essential oil content and composition of Dracocephalum multicaule at different phenological stages: Determination of balsamic time","authors":"Saeid Hazrati , Farhad Habibzadeh , Asal Davatgar-Iranizad , Mohammad-Taghi Ebadi","doi":"10.1016/j.bse.2026.105215","DOIUrl":"10.1016/j.bse.2026.105215","url":null,"abstract":"<div><div><em>Dracocephalum multicaule</em> is a valuable medicinal and aromatic plant belonging to the Lamiaceae family. Its essential oils exhibit anticholinesterase, antioxidant, antimicrobial, anti-inflammatory, and neuroprotective activities, making them suitable for pharmaceutical and food industry applications. However, the optimal harvest time for maximizing essential oil yield and quality remains unclear. This study aimed to evaluate variations in essential oil content and composition of <em>D. multicaule</em> at different phenological stages to determine the most suitable harvest period. Plant samples were collected in 2023 at eight distinct phenological stages, ranging from vegetative growth to the ripe seed stage. Essential oils were extracted by hydrodistillation using a Clevenger-type apparatus and analyzed by gas chromatography-mass spectrometry (GC-MS). Essential oil content varied significantly across phenological stages, ranging from 0.50 % to 0.72 % (w/w). The highest essential oil content (0.72 % w/w) was observed at the 75 % flowering stage, with no statistically significant differences compared to the 50 % flowering (0.69 %) and full flowering (0.62 %) stages. Seven major compounds were identified, accounting for 96.10 %–99.16 % of the total essential oil composition. The predominant constituents were perilla aldehyde (40.03–65.29 %), limonene (23.06–37.65 %), α-pinene (2.28–5.08 %), and carvone (1.10–20.79 %). Perilla aldehyde reached its maximum concentration (65.29 %) at the 75 % flowering stage, whereas limonene was highest at the ripe seed stage. Considering both essential oil yield and chemical composition, the 75 % flowering stage was identified as the optimal harvest time for <em>D. multicaule</em>, providing superior oil content and a favorable phytochemical profile for pharmaceutical and industrial uses.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"126 ","pages":"Article 105215"},"PeriodicalIF":2.0,"publicationDate":"2026-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145939810","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}
The constituents of the marine red alga Laurencia hamata Yamada (Kagi-sozo in Japanese), which was entangled in the brown alga Sargassum sp., collected from the coast of Oga Peninsula, Akita Prefecture, Japan were investigated. This species produced two halogenated C15-acetogenins, a new hamatenyne (2) and a known cis-maneonene-A (1). Their structures were deduced on the basis of spectroscopic data and comparison with previously reported data. In addition, the biological activities of the isolated compounds were evaluated against the brine shrimp assay and the DPPH antioxidant assay. This is the first report on chemistry and morphology of L. hamata.
{"title":"Chemotaxonomic analysis of Laurencia spp. collected from the coast of Akita Prefecture, Japan. Part II: chemical composition of Laurencia hamata","authors":"Yu Minamida , Hiroshi Matsuura , Keisuke Sugimoto , Yukimasa Yamagishi , Tsuyoshi Abe , Norio Kikuchi , Minoru Suzuki","doi":"10.1016/j.bse.2025.105211","DOIUrl":"10.1016/j.bse.2025.105211","url":null,"abstract":"<div><div>The constituents of the marine red alga <em>Laurencia hamata</em> Yamada (Kagi-sozo in Japanese), which was entangled in the brown alga <em>Sargassum</em> sp., collected from the coast of Oga Peninsula, Akita Prefecture, Japan were investigated. This species produced two halogenated C<sub>15</sub>-acetogenins, a new hamatenyne (<strong>2</strong>) and a known <em>cis</em>-maneonene-A (<strong>1</strong>). Their structures were deduced on the basis of spectroscopic data and comparison with previously reported data. In addition, the biological activities of the isolated compounds were evaluated against the brine shrimp assay and the DPPH antioxidant assay. This is the first report on chemistry and morphology of <em>L. hamata</em>.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"126 ","pages":"Article 105211"},"PeriodicalIF":2.0,"publicationDate":"2026-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145882294","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}
The genus Artemisia L. is known for its wide variety of species, diverse chemical composition, and multi-applications in medicine, food, horticulture, and ecological restoration. Mugwort is a common name for several species of the genus. Artemisia kangleipakensis S. Sougrakpam, R. Ganesan and Y. Rajashekar is a wild-grown mugwort variety, described from Ukhrul, Manipur, North-East India. The HS-SPME combined GC-MS technique was employed to investigate the composition and chemical variability of foliar volatiles of Artemisia kangleipakensis from four regions of Manipur, along with chemometric analysis. The GC-MS analyses identified a total of 43 VOCs in the sample across four different regions: 31 in Koubru, 26 in Purul, 22 in Huishu, and 37 in Ukhrul, representing 98 % of the total area analysed. The Koubru constituted a diverse range of chemical classes: 13 monoterpenes, 7 sesquiterpenes, 2 alkanes, 2 alkenes, 1 ketone, and 5 alcohols. Santolina triene (61.97–66.55 %) and 2-thujene (4.57–17.16 %) were predominant compounds, followed by o-cymene (1.03–7.78 %) and caryophyllene (1.85–3.28 %) across the four regions. The current findings indicate that the major compound profiles across all regions studied are similar, with monoterpenes more abundant than sesquiterpenes. Major compounds shared a similar qualitative composition but differed in their quantitative composition. This volatile fingerprint may be significant for understanding the species from chemotaxonomic, chemophenetic, and ecological perspectives. These results highlight the dominant volatile organic compounds (VOCs), which could offer a roadmap for bioprospecting and potential future applications.
青蒿属植物种类繁多，化学成分多样，在医药、食品、园艺和生态修复等方面有着广泛的应用。艾草是该属几个物种的共同名称。Artemisia kangleipakensis S. Sougrakpam， R. Ganesan和Y. Rajashekar是一种野生艾草品种，产于印度东北部曼尼普尔邦的Ukhrul。采用HS-SPME联合GC-MS技术对曼尼普尔邦4个地区康莱巴蒿叶挥发物的组成和化学变异进行了研究，并进行了化学计量分析。气相色谱-质谱分析在四个不同地区的样本中共鉴定出43种挥发性有机化合物：库布鲁31种，普鲁尔26种，惠舒22种，乌克鲁尔37种，占分析总面积的98%。Koubru的化学种类繁多：13种单萜、7种倍半萜、2种烷烃、2种烯烃、1种酮和5种醇。以三烯（61.97 ~ 66.55%）和2-苏烯（4.57 ~ 17.16%）为主，其次为o-花仙花烯（1.03 ~ 7.78%）和石竹烯（1.85 ~ 3.28%）。目前的研究结果表明，在所有研究区域的主要化合物谱是相似的，单萜比倍半萜更丰富。主要化合物具有相似的定性组成，但其定量组成不同。这种挥发性指纹可能对从化学分类学、化学表型和生态学角度了解该物种具有重要意义。这些结果突出了挥发性有机化合物（VOCs）的优势，为生物勘探和潜在的未来应用提供了路线图。
{"title":"Deciphering foliar volatiles of Artemisia kangleipakensis from four different regions of Manipur, India: Insights from HS-SPME-GC-MS and chemometric analysis","authors":"Sonia Sougrakpam , Nameirakpam Bunindro Singh , Yallappa Rajashekar","doi":"10.1016/j.bse.2025.105213","DOIUrl":"10.1016/j.bse.2025.105213","url":null,"abstract":"<div><div>The genus <em>Artemisia</em> L. is known for its wide variety of species, diverse chemical composition, and multi-applications in medicine, food, horticulture, and ecological restoration. Mugwort is a common name for several species of the genus. <em>Artemisia kangleipakensis</em> S. Sougrakpam, R. Ganesan and Y. Rajashekar is a wild-grown mugwort variety, described from Ukhrul, Manipur, North-East India. The HS-SPME combined GC-MS technique was employed to investigate the composition and chemical variability of foliar volatiles of <em>Artemisia kangleipakensis</em> from four regions of Manipur, along with chemometric analysis. The GC-MS analyses identified a total of 43 VOCs in the sample across four different regions: 31 in Koubru, 26 in Purul, 22 in Huishu, and 37 in Ukhrul, representing 98 % of the total area analysed. The Koubru constituted a diverse range of chemical classes: 13 monoterpenes, 7 sesquiterpenes, 2 alkanes, 2 alkenes, 1 ketone, and 5 alcohols. Santolina triene (61.97–66.55 %) and 2-thujene (4.57–17.16 %) were predominant compounds, followed by <em>o</em>-cymene (1.03–7.78 %) and caryophyllene (1.85–3.28 %) across the four regions. The current findings indicate that the major compound profiles across all regions studied are similar, with monoterpenes more abundant than sesquiterpenes. Major compounds shared a similar qualitative composition but differed in their quantitative composition. This volatile fingerprint may be significant for understanding the species from chemotaxonomic, chemophenetic, and ecological perspectives. These results highlight the dominant volatile organic compounds (VOCs), which could offer a roadmap for bioprospecting and potential future applications.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"126 ","pages":"Article 105213"},"PeriodicalIF":2.0,"publicationDate":"2025-12-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145881672","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}
Pub Date : 2025-12-25DOI: 10.1016/j.bse.2025.105212
Wei Liu , Yu-Li Zhang , Piao Yan, Ze Wu, Meng-Wei Gao, Shuo Tian, Ren-Bo An, Li-Li Jin
Twenty-seven compounds were isolated from the roots of Rubus crataegifolius Bunge (R. crataegifolius), including one sterol (1), seventeen triterpenoids (2–11, 13, 15–17, 21–23), two organic acids (12, 14), two cerebrosides (18, 19), one glycoside (20), two phenolic acids (24, 25) and two flavonoids (26, 27). Among these, compounds 4 and 19 were isolated from the family Rosaceae for the first time, while compounds 5, 12, 14, and 18 were originally identified within the genus Rubus. Additionally, compounds 3, 7–10, 13, 20, 22, 25, and 27 were firstly isolated from R. crataegifolius. Structures of all compounds were identified by 1H and 13C NMR and MS spectroscopy and NMR data. The distribution of these compounds offers complementary insights for the chemotaxonomy of Rubus and its relationships within the Rosaceae.
{"title":"Chemical constituents from the roots of Rubus crataegifolius Bunge and their chemotaxonomic significance","authors":"Wei Liu , Yu-Li Zhang , Piao Yan, Ze Wu, Meng-Wei Gao, Shuo Tian, Ren-Bo An, Li-Li Jin","doi":"10.1016/j.bse.2025.105212","DOIUrl":"10.1016/j.bse.2025.105212","url":null,"abstract":"<div><div>Twenty-seven compounds were isolated from the roots of <em>Rubus crataegifolius</em> Bunge (<em>R. crataegifolius</em>), including one sterol (<strong>1</strong>), seventeen triterpenoids (<strong>2</strong>–<strong>11</strong>, <strong>13</strong>, <strong>15</strong>–<strong>17</strong>, <strong>21</strong>–<strong>23</strong>), two organic acids (<strong>12</strong>, <strong>14</strong>), two cerebrosides (<strong>18</strong>, <strong>19</strong>), one glycoside (<strong>20</strong>), two phenolic acids (<strong>24</strong>, <strong>25</strong>) and two flavonoids (<strong>26</strong>, <strong>27</strong>). Among these, compounds <strong>4</strong> and <strong>19</strong> were isolated from the family Rosaceae for the first time, while compounds <strong>5</strong>, <strong>12</strong>, <strong>14</strong>, and <strong>18</strong> were originally identified within the genus <em>Rubus</em>. Additionally, compounds <strong>3</strong>, <strong>7</strong>–<strong>10</strong>, <strong>13</strong>, <strong>20</strong>, <strong>22</strong>, <strong>25</strong>, and <strong>27</strong> were firstly isolated from <em>R. crataegifolius</em>. Structures of all compounds were identified by <sup>1</sup>H and <sup>13</sup>C NMR and MS spectroscopy and NMR data. The distribution of these compounds offers complementary insights for the chemotaxonomy of <em>Rubus</em> and its relationships within the Rosaceae.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"126 ","pages":"Article 105212"},"PeriodicalIF":2.0,"publicationDate":"2025-12-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145814186","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}
The phytochemical study of the ethyl acetate soluble fraction of the stem bark of Acacia polyacantha led to the isolation and structural characterization of a new acylated phytosterol glucoside derivative (1), together with seven known compounds (2-8). The structures of the isolated compounds (1–8) were elucidated using 1D and 2D NMR spectroscopic analyses, HR-ESI mass spectrometry, acid hydrolysis as well as by comparing our outcomes with available data. The targeted fraction (ethyl acetate) was assessed for its potential antifungal activity against seven phytopathogenic fungi and displayed interesting activity against Aspergillus niger, Aspergillus flavus and Pythium myriotylum with IC50 values of 27.38, 33.78 and 174.16 μg/mL respectively. Molecular docking carried out on compounds 1, 2 and 3 revealed the pharmacophoric moieties through which these natural products bind the proteins (8RPF, 1FHF, 1IA5) that play an important role in the fungal diseases that attack crops. Results revealed that compound 3, with binding energy values lower than those of the reference (azoxystrobin), is the most promising of the investigated antifungal natural products.
{"title":"A new acylated phytosterol glucoside from the stem bark of Acacia polyacantha Willd (Fabaceae): molecular docking studies with phytopathogenic proteins as targets","authors":"Jean Faustin Atangana , Lin Marcellin Messi , Hilaire Tendongmo , Aymard Didier Tamafo Fouegue , Bolomigui Boyomo , Joséphine Ngo Mbing , Dieudonné Emmanuel Pegnyemb , Muhammad Iqbal Choudhary , Mohamed Haddad , Olivier Placide Noté","doi":"10.1016/j.bse.2025.105210","DOIUrl":"10.1016/j.bse.2025.105210","url":null,"abstract":"<div><div>The phytochemical study of the ethyl acetate soluble fraction of the stem bark of <em>Acacia polyacantha</em> led to the isolation and structural characterization of a new acylated phytosterol glucoside derivative (<strong>1</strong>), together with seven known compounds (<strong>2</strong>-<strong>8</strong>). The structures of the isolated compounds (<strong>1</strong>–<strong>8</strong>) were elucidated using 1D and 2D NMR spectroscopic analyses, HR-ESI mass spectrometry, acid hydrolysis as well as by comparing our outcomes with available data. The targeted fraction (ethyl acetate) was assessed for its potential antifungal activity against seven phytopathogenic fungi and displayed interesting activity against <em>Aspergillus niger, Aspergillus flavus</em> and <em>Pythium myriotylum</em> with IC<sub>50</sub> values of 27.38, 33.78 and 174.16 μg/mL respectively. Molecular docking carried out on compounds <strong>1</strong>, <strong>2</strong> and <strong>3</strong> revealed the pharmacophoric moieties through which these natural products bind the proteins (8RPF, 1FHF, 1IA5) that play an important role in the fungal diseases that attack crops. Results revealed that compound <strong>3,</strong> with binding energy values lower than those of the reference (azoxystrobin), is the most promising of the investigated antifungal natural products.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"125 ","pages":"Article 105210"},"PeriodicalIF":2.0,"publicationDate":"2025-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145836447","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}
Pub Date : 2025-12-22DOI: 10.1016/j.bse.2025.105209
Hidayatul Atiqah Abd Karim , Nor Hadiani Ismail , Christophe Wiart , Rozaini Mohd Zohdi , Che Puteh Osman
Kibatalia is a rich source of paravallarine-type steroidal alkaloids. Despite the potential of chemical constituents from the Kibatalia genus, the chemical constituents of Kibatalia maingayi remain unexplored. The dichloromethane stem bark extract of K. maingayi was subjected to exhaustive chromatographic procedures, which yielded seven compounds, including five amide alkaloids, one indoloquinazoline alkaloid, and one lignan. Their structures were confirmed by extensive spectral data analysis and comparison with literature data. The presence of an amide alkaloid reported for the first time in the Apocynaceae family signifies its phylogenetic and chemotaxonomic significance. The absence of expected steroidal alkaloids, alongside compounds from shikimate- and polyketide-derived pathways, suggests a broader and more variable metabolic repertoire than previously documented. These findings expand the knowledge of K. maingayi, refine the chemotaxonomic framework for Kibatalia, and provide insights into phylogenetic relationships and the evolution of secondary metabolism in Apocynaceae.
{"title":"Chemical constituents from Kibatalia maingayi (Apocynaceae) and its chemotaxonomic significance","authors":"Hidayatul Atiqah Abd Karim , Nor Hadiani Ismail , Christophe Wiart , Rozaini Mohd Zohdi , Che Puteh Osman","doi":"10.1016/j.bse.2025.105209","DOIUrl":"10.1016/j.bse.2025.105209","url":null,"abstract":"<div><div><em>Kibatalia</em> is a rich source of paravallarine-type steroidal alkaloids. Despite the potential of chemical constituents from the <em>Kibatalia</em> genus, the chemical constituents of <em>Kibatalia maingayi</em> remain unexplored. The dichloromethane stem bark extract of <em>K. maingayi</em> was subjected to exhaustive chromatographic procedures, which yielded seven compounds, including five amide alkaloids, one indoloquinazoline alkaloid, and one lignan. Their structures were confirmed by extensive spectral data analysis and comparison with literature data. The presence of an amide alkaloid reported for the first time in the Apocynaceae family signifies its phylogenetic and chemotaxonomic significance. The absence of expected steroidal alkaloids, alongside compounds from shikimate- and polyketide-derived pathways, suggests a broader and more variable metabolic repertoire than previously documented. These findings expand the knowledge of <em>K. maingayi</em>, refine the chemotaxonomic framework for <em>Kibatalia</em>, and provide insights into phylogenetic relationships and the evolution of secondary metabolism in Apocynaceae.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"125 ","pages":"Article 105209"},"PeriodicalIF":2.0,"publicationDate":"2025-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145836446","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}
Pub Date : 2025-12-22DOI: 10.1016/j.bse.2025.105208
Jin Mao , Liang Gou , Jiu Wu , Wei Xu , Dan Lei , Chao-Jiang Xiao , Bei Jiang
Phytochemical investigation of the roots and stems of Hydrangea davidii yielded eight compounds, including a new coumarin (1), along with seven known coumarins (2–8). Structures elucidations were fulfilled by spectroscopic analysis and literature comparison. Significantly, all compounds were isolated for the first time from H. davidii, with compounds 1, 5, 7, and 8 representing novel isolates within genus Hydrangea. The isolates were screened for in vitro antiplasmodial activity against Plasmodium falciparum 3D7 strain using the SYBR Green I assay, and compounds 5 and 7 exhibited significant antiplasmodial activity. Additionally, the chemotaxonomic significance of the isolated compounds was comprehensively discussed, and some compounds were deduced to be the potential chemotaxonomic markers for distinguishing H. davidii from the closely related species in the same genus and family.
对绣球根和茎的植物化学研究发现了8种化合物，包括一种新的香豆素(1)，以及7种已知的香豆素（2-8）。通过光谱分析和文献比较对其结构进行了验证。所有化合物均为首次从绣球花中分离得到，其中化合物1、5、7和8为绣球花属新分离物。采用SYBR Green I法筛选分离物对恶性疟原虫3D7菌株的体外抗疟原虫活性，化合物5和7表现出显著的抗疟原虫活性。此外，对分离化合物的化学分类意义进行了全面的讨论，并推断出一些化合物可能是将戴维家鼠与同一属和科的近缘种区分开来的潜在化学分类标记。
{"title":"Coumarins from Hydrangea davidii Franch and their chemotaxonomic significance","authors":"Jin Mao , Liang Gou , Jiu Wu , Wei Xu , Dan Lei , Chao-Jiang Xiao , Bei Jiang","doi":"10.1016/j.bse.2025.105208","DOIUrl":"10.1016/j.bse.2025.105208","url":null,"abstract":"<div><div>Phytochemical investigation of the roots and stems of <em>Hydrangea davidii</em> yielded eight compounds, including a new coumarin (<strong>1</strong>), along with seven known coumarins (<strong>2</strong>–<strong>8</strong>). Structures elucidations were fulfilled by spectroscopic analysis and literature comparison. Significantly, all compounds were isolated for the first time from <em>H</em>. <em>davidii</em>, with compounds <strong>1</strong>, <strong>5</strong>, <strong>7</strong>, and <strong>8</strong> representing novel isolates within genus <em>Hydrangea</em>. The isolates were screened for <em>in vitro</em> antiplasmodial activity against <em>Plasmodium falciparum</em> 3D7 strain using the SYBR Green I assay, and compounds <strong>5</strong> and <strong>7</strong> exhibited significant antiplasmodial activity. Additionally, the chemotaxonomic significance of the isolated compounds was comprehensively discussed, and some compounds were deduced to be the potential chemotaxonomic markers for distinguishing <em>H. davidii</em> from the closely related species in the same genus and family.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"125 ","pages":"Article 105208"},"PeriodicalIF":2.0,"publicationDate":"2025-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145836373","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}
Prangos ferulacea is a popular species of the Apiaceae family with medicinal properties that is distributed in Southwestern Asia, Iran, Caucasia, Eastern Europe, and Turkey. The present research was conducted to evaluate the ecological conditions of habitats with different altitudes on the content and composition of P. ferulacea EO and its total phenolic compounds. The EO content of the samples collected from different altitudes ranged from 2.06 % at 1850 m to 1.06 % at 2050 m. Based on GC-MS analysis, the monoterpene hydrocarbons representing 77–83.75 % of total oil, were the most abundant volatile compounds of P. ferulacea EO. The predominant constituents of the EO were β-pinene, δ-3-carene, α-pinene, viridine, β-phellandrene, terpinolene, (Z)-ternine, (Z)-nerolidol, myrcene, and α-phellandrene. Three groups were determined for P. ferulacea samples grown at five different altitudes, including high EO content with increased values of α- and β-phellandrene, (Z)-ternine, and (Z)-nerolidol (group 1), the moderate levels of TPC, TFC, TFFC of extract, EO, and β-pinene, myrcene, and viridine of oil (group 2) and high TPC, TFC, TFFC of extract and increased values of δ-3-carene, terpinolene and α-pinene of oil (group 3). In general, slightly acidic soil rich in N, P, Fe and Zn elements and OM, is recommended to achieve the highest content of EO and α- and β-phellandrene, (Z)-ternine, and (Z)-nerolidol compounds, while the highest amounts of TPC, TFC, and TFFC of extract and δ-3-carene, terpinolene and α-pinene of oil can be obtained in alkaline soil with more CaCO3 and poor in OM and nutrients.
{"title":"Initial investigation of altitude-related changes in Prangos ferulacea secondary metabolites","authors":"Anahita Boveiri Dehsheikh , Mohammad Mahmoodi Sourestani , Mojtaba Norouzi Masir","doi":"10.1016/j.bse.2025.105207","DOIUrl":"10.1016/j.bse.2025.105207","url":null,"abstract":"<div><div><em>Prangos ferulacea</em> is a popular species of the Apiaceae family with medicinal properties that is distributed in Southwestern Asia, Iran, Caucasia, Eastern Europe, and Turkey. The present research was conducted to evaluate the ecological conditions of habitats with different altitudes on the content and composition of <em>P. ferulacea</em> EO and its total phenolic compounds. The EO content of the samples collected from different altitudes ranged from 2.06 % at 1850 m to 1.06 % at 2050 m. Based on GC-MS analysis, the monoterpene hydrocarbons representing 77–83.75 % of total oil, were the most abundant volatile compounds of <em>P. ferulacea</em> EO. The predominant constituents of the EO were β-pinene, δ-3-carene, α-pinene, viridine, β-phellandrene, terpinolene, (Z)-ternine, (Z)-nerolidol, myrcene, and α-phellandrene. Three groups were determined for <em>P. ferulacea</em> samples grown at five different altitudes, including high EO content with increased values of α- and β-phellandrene, (Z)-ternine, and (Z)-nerolidol (group 1), the moderate levels of TPC, TFC, TFFC of extract, EO, and β-pinene, myrcene, and viridine of oil (group 2) and high TPC, TFC, TFFC of extract and increased values of δ-3-carene, terpinolene and α-pinene of oil (group 3). In general, slightly acidic soil rich in N, P, Fe and Zn elements and OM, is recommended to achieve the highest content of EO and α- and β-phellandrene, (Z)-ternine, and (Z)-nerolidol compounds, while the highest amounts of TPC, TFC, and TFFC of extract and δ-3-carene, terpinolene and α-pinene of oil can be obtained in alkaline soil with more CaCO<sub>3</sub> and poor in OM and nutrients.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"125 ","pages":"Article 105207"},"PeriodicalIF":2.0,"publicationDate":"2025-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145796621","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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