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Antioxidant, anti-inflammatory, antiulcerogenic, and haemolytic properties of hydroethanolic and aqueous extracts from Tabernaemontana crassa Benth. fruit 从 Tabernaemontana crassa Benth. 果实中提取的水乙醇和水提取物的抗氧化、抗炎、抗溃疡和溶血特性。
IF 1.6 3区 化学 Q3 CHEMISTRY, APPLIED Pub Date : 2026-03-04 Epub Date: 2024-10-17 DOI: 10.1080/14786419.2024.2418452
Fatima Zahra Saadi , Djamila Merghache , Zahia Boucherit‑Otmani , Kaddour Benariba , Asmaa Rahmoun , Fatima Zahra Ghanemi , Nabila Yelles , Nesrine Sekkal , Ibtissem Bellaoueur , Fayçal Hassani , Youcef Rahmani
Anti-inflammatory, antioxidant, antiulcer, and cytotoxic properties of hydroethanolic and aqueous extracts from the fruits of Tabernaemontana crassa were investigated. Four phenolic compounds, including three phenolic acids (gallic, caffeic, and chlorogenic acids) and one flavonol (rutin), were detected by HPLC-PDA. The hydroethanol extract (HE) exhibited high antioxidant activity and inhibition of haemolysis against red blood cells. Administration of HE (200 mg kg−1) significantly decreased the paw edoema induced by carrageenan compared to diclofenac sodium (20 mg kg−1). At the same dose, HE exhibited appreciable gastric cytoprotective capacity compared to Lanzoprazole (20 mg kg−1). These results were further supported by the histological analysis. Crude fruit extracts demonstrated a low haemolytic effect against rat red blood cells. Our findings support the use of T. crassa fruit in pharmacological and therapeutic fields.
研究了从Tabernaemontana crassa果实中提取的水乙醇和水提取物的抗炎、抗氧化、抗溃疡和细胞毒性特性。HPLC-PDA 法检测了四种酚类化合物,包括三种酚酸(没食子酸、咖啡酸和绿原酸)和一种黄酮醇(芦丁)。水乙醇提取物(HE)表现出很高的抗氧化活性和对红细胞溶血的抑制作用。与双氯芬酸钠(20 毫克/千克)相比,氢乙醇提取物(200 毫克/千克)能明显减轻卡拉胶引起的爪水肿。在相同剂量下,与兰索拉唑(20 毫克/千克)相比,HE 具有明显的胃细胞保护能力。组织学分析进一步证实了这些结果。粗果提取物对大鼠红细胞的溶血作用较低。我们的研究结果支持在药理和治疗领域使用 T. crassa 果实。
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引用次数: 0
Exploring the anticancer potential of Lasia spinosa rhizomes: insights from molecular docking and DFT investigations on chlorogenic acid and beyond 探索刺五加根茎的抗癌潜力:对绿原酸及其他成分进行分子对接和 DFT 研究的启示。
IF 1.6 3区 化学 Q3 CHEMISTRY, APPLIED Pub Date : 2026-03-04 Epub Date: 2024-10-21 DOI: 10.1080/14786419.2024.2420334
M. V. N. L. Chaitanya , Arya Lakshmi Marisetti , Hardeep Kaur , Amandeep Singh , Sachin Kumar Singh , Naman Sethi , Diksha Kumari
Lasia spinosa (L.) Thwaites rhizomes (LSR), historically utilised in traditional medicine for various health sufferings, including cancer, represent an intriguing yet underexplored reservoir of bioactive constituents. Our study focused on exploring the anticancer potential of LSR and its phytoconstituents. The methanol extract of LSR exhibited significant cytotoxicity against various cancer cell lines compared to other extracts. The fractionation of methanol extract resulted in the isolation of chlorogenic acid (CA), oleanolic acid, β-amyrin, and lyonoresinol. Molecular docking analysis of these isolated compounds targeted at the active sites of CDK-2, VEGFR-2, and ToP-2A enzymes revealed the superior docking score of CA compared to the other constituents. Additionally, density functional theory studies indicated the strong electrophilic nature of CA and its potential for robust enzyme binding interactions. Subsequent MTT assays focusing on CA exhibited significant activity against all tested cell lines, with IC50 values ranging from 21.56 to 72.60 μg/ml, comparable to quercetin.
Lasia spinosa (L.) Thwaites rhizomes(LSR)在传统医学中历来被用于治疗包括癌症在内的各种疾病,它代表了一个令人感兴趣但尚未被充分开发的生物活性成分宝库。我们的研究重点是探索 LSR 及其植物成分的抗癌潜力。与其他提取物相比,LSR 的甲醇提取物对各种癌细胞株具有显著的细胞毒性。对甲醇提取物进行分馏后,分离出了绿原酸(CA)、齐墩果酸、β-氨基嘌呤和枸杞子苷醇。对这些分离出的化合物进行了分子对接分析,发现与其他成分相比,绿原酸的对接得分更高,这些化合物靶向 CDK-2、VEGFR-2 和 ToP-2A 酶的活性位点。此外,密度泛函理论研究表明,CA 具有很强的亲电性,有可能与酶发生强有力的结合作用。随后进行的 MTT 试验表明,CA 对所有测试的细胞株都有显著的活性,IC50 值从 21.56 到 72.60 μg/ml 不等,与槲皮素相当。
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引用次数: 0
Thymic epithelial cell responses to the friedelin triterpene in vitro 体外胸腺上皮细胞对油菜素三萜的反应
IF 1.6 3区 化学 Q3 CHEMISTRY, APPLIED Pub Date : 2026-03-04 Epub Date: 2024-10-24 DOI: 10.1080/14786419.2024.2421902
Felipe Lima Porto , Marvin Paulo Lins , Salete Smaniotto , Maria Danielma dos Santos Reis
Thymic epithelial cells (TECs) dysfunction can lead to disorders in the adaptive immune response, resulting in immunodeficiency or autoimmune diseases. Therefore, the investigation of new drugs with immunomodulatory capacity can contribute to the development of strategies to improve thymic functions. In this context, this study aimed to investigate the in vitro effects of the pentacyclic triterpene friedelin (FD) on TEC biology. For this, murine 2BH4 cells were treated with 0.1 and 1 μM FD for 24 h. After treatment, fibronectin and laminin production was increased (16% and 37% respectively) by TECs, however it did not alter the expression of CXCL12 chemokine. The interaction between TEC and thymocytes was also evaluated, in which a greater adhesion (45%) and survival (228%) of thymocytes to treated-TECs was observed. MHC molecules were up-regulated by FD treatment plus thymocyte coculture. Based on these results it was possible to attest that FD has an important and promissory role in the physiology of murine TECs.
胸腺上皮细胞(TECs)功能障碍可导致适应性免疫反应失调,造成免疫缺陷或自身免疫性疾病。因此,研究具有免疫调节能力的新药有助于开发改善胸腺功能的策略。在此背景下,本研究旨在探讨五环三萜类油炸素(FD)对 TEC 生物学的体外影响。用 0.1 和 1 μM FD 处理小鼠 2BH4 细胞 24 小时后,TEC 产生的纤维粘连蛋白和层粘连蛋白增加了(分别为 16% 和 37%),但并未改变 CXCL12 趋化因子的表达。还对 TEC 与胸腺细胞之间的相互作用进行了评估,观察到胸腺细胞对经处理的 TEC 有更高的粘附率(45%)和存活率(228%)。FD 处理和胸腺细胞共培养可上调 MHC 分子。基于这些结果,可以证明 FD 在小鼠 TEC 的生理机能中具有重要的作用。
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引用次数: 0
Diterpenoids in Burnatia enneandra micheli (alismataceae) are active constituents by demonstrating its antibacterial activities. 泽泻科泽泻属植物中的二萜类化合物具有抗菌活性。
IF 1.6 3区 化学 Q3 CHEMISTRY, APPLIED Pub Date : 2026-03-03 DOI: 10.1080/14786419.2026.2630362
Honoré Wangso, Gaetan Bayiha Ba Njock, Alphonse Laya, Bosco Peron Leutcha, Isaac Silvère Gade, Albert Atangana Fouda, Benoît Koubala Bargui, Celine Henoumont, Sophie Laurent, Emmanuel Talla

Burnatia enneandra was traditionally used across the world for medicinal purposes. In Cameroon, this plant treats injuries, stomach aches and some intestinal parasites. Therefore, the bioactive molecules responsible for these potentials and their mechanisms of action remain unknown. This study investigates, for the first time, the antibacterial effects of isolated compounds from B. enneandra and their effective use for therapeutic purposes without side effects. The bioactive molecules of B. enneandra were obtained from ethyl acetate extract (EA.E) by applying various chromatographic methods. The structures were elucidated using HR-ESI-MS and 1D- & 2D-NMR spectroscopic data in addition to literature. The antibacterial activity was evaluated on four bacteria strains. As a results, one new diterpenoid of the clerodane (1) type, together with five known diterpenoids (2, 3, 4, 5, 6), was isolated in the EA.E of B. enneandra tubers. All tested negative-gram bacteria strains showed high MIC against isolated compound (1) at 0.04 µmol/mL.

在世界各地,传统上都是药用的。在喀麦隆,这种植物可以治疗受伤、胃痛和一些肠道寄生虫。因此,负责这些电位的生物活性分子及其作用机制尚不清楚。本研究首次研究了从菟丝子中分离得到的化合物的抑菌作用及其无副作用的有效治疗用途。采用不同的色谱方法,从乙酸乙酯提取物(EA.E)中分离得到了獐牙菜的活性分子。利用HR-ESI-MS和1D-和2D-NMR光谱数据以及文献资料对其结构进行了鉴定。对4株细菌进行抑菌活性评价。结果表明,在山芋块茎的ea - e中分离到了1个新的克罗丹(1)型二萜类化合物,以及5个已知的二萜类化合物(2,3,4,5,6)。所有阴性革兰氏菌菌株对分离化合物(1)的MIC值均为0.04µmol/mL。
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引用次数: 0
Expedient MPLC-based isolation of lupane triterpenoids from Glochidion zeylanicum var. tomentosum (Dalzell) Trimen. Bark. 用高效液相色谱法分离羽扇豆中羽扇豆烷三萜。树皮。
IF 1.6 3区 化学 Q3 CHEMISTRY, APPLIED Pub Date : 2026-03-03 DOI: 10.1080/14786419.2026.2636155
Harshal S Patil, K S Jagadeesha, Ashwini Sanjay Baviskar, P Sharanappa, Hirekodathakallu V Thulasiram

An automated medium-pressure liquid chromatography (MPLC) system was employed for the preparative-scale isolation of lupane-type triterpenoids from Glochidion zeylanicum var. tomentosum (Dalzell) Trimen. Seven compounds were isolated and identified as glochidone (1), glochidonol (2), glochidiol (3), lupeol (4), epilupeol (5), lup-20(29)-ene-3α,23-diol (6) and lup-20(29)-ene-1α,3β-diol (7). The antimicrobial activity of these compounds was evaluated against Micrococcus luteus, Staphylococcus aureus, Aspergillus fumigatus and Rhizopus oryzae using the minimum inhibitory concentration (MIC) method. Glochidiol (3) showed moderate activity against S. aureus (64 µg/mL) and R. oryzae (32 µg/mL). Compound 6 also showed moderate antifungal activity against A. fumigatus (64 µg/mL). The results highlight the efficiency of MPLC and the influence of hydroxyl substitution on antimicrobial activity.

采用全自动中压液相色谱法(MPLC)分离制备规模的羽扇豆中羽扇烷型三萜。分离得到7个化合物,分别鉴定为glochidone(1)、glochidonol(2)、glochidonol(3)、luppeol(4)、epilupeol(5)、lop -20(29)-ene-3α,23-diol(6)和lop -20(29)-ene-1α,3β-diol(7)。采用最小抑菌浓度法(MIC)评价了这些化合物对黄体微球菌、金黄色葡萄球菌、烟曲霉和米根霉的抑菌活性。Glochidiol(3)对金黄色葡萄球菌(64µg/mL)和稻瘟病菌(32µg/mL)具有中等活性。化合物6对烟曲霉的抗真菌活性中等(64µg/mL)。结果表明了高效液相色谱的效率和羟基取代对抗菌活性的影响。
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引用次数: 0
Three novel benzophenones from Mesua caudata (King) Kosterm. and their cytotoxic activity. 三种新型二苯甲酮类化合物。以及它们的细胞毒活性。
IF 1.6 3区 化学 Q3 CHEMISTRY, APPLIED Pub Date : 2026-03-02 DOI: 10.1080/14786419.2026.2636159
Mulyadi Tanjung, Muhammad Fajar Aldin, Ali Rohman, Ratih Dewi Saputri, Norizan Ahmat, Tjitjik Srie Tjahjandarie

To clarify the cytotoxic potential of Mesua caudata (King) Kosterm., three novel benzophenone derivatives, mesucaudatins A-C (1-3), along with one known xanthone compound (4), were found in the stem bark of this plant. The structure determination of all benzophenones (1-3) was carried out by 1D (1H,13C) or 2D (HMQC, HMBC) NMR spectroscopy, and high-resolution MS data. All isolates from this plant were first tested for cytotoxicity against cervical (HeLa) and breast cancer (MCF-7) cells. Mesucaudatin A (1) exhibited potent cytotoxic activity against HeLa cells and MCF-7 cells with IC50 values of 0.76 and 9.29 μM, respectively. Macluraxanthone (4) also showed high activity against HeLa cells (IC50 = 3.96 μM) and moderate activity against MCF-7 cells (IC50 = 10.10 μM).

目的:阐明尾果藤的细胞毒性潜能。在该植物的茎皮中发现了三个新的二苯甲酮衍生物,mesucaudatins A-C(1-3)和一个已知的山酮化合物(4)。通过1D (1H,13C)或2D (HMQC, HMBC) NMR波谱和高分辨率MS数据对所有二苯甲酮(1-3)进行结构测定。所有分离物均对宫颈癌(HeLa)和乳腺癌(MCF-7)细胞进行了细胞毒性试验。Mesucaudatin A(1)对HeLa细胞和MCF-7细胞具有较强的细胞毒活性,IC50值分别为0.76和9.29 μM。Macluraxanthone(4)对HeLa细胞的IC50为3.96 μM,对MCF-7细胞的IC50为10.10 μM。
{"title":"Three novel benzophenones from <i>Mesua caudata</i> (King) Kosterm. and their cytotoxic activity.","authors":"Mulyadi Tanjung, Muhammad Fajar Aldin, Ali Rohman, Ratih Dewi Saputri, Norizan Ahmat, Tjitjik Srie Tjahjandarie","doi":"10.1080/14786419.2026.2636159","DOIUrl":"https://doi.org/10.1080/14786419.2026.2636159","url":null,"abstract":"<p><p>To clarify the cytotoxic potential of <i>Mesua caudata</i> (King) Kosterm., three novel benzophenone derivatives, mesucaudatins A-C (<b>1-3</b>), along with one known xanthone compound (<b>4</b>), were found in the stem bark of this plant. The structure determination of all benzophenones (<b>1-3</b>) was carried out by 1D (<sup>1</sup>H,<sup>13</sup>C) or 2D (HMQC, HMBC) NMR spectroscopy, and high-resolution MS data. All isolates from this plant were first tested for cytotoxicity against cervical (HeLa) and breast cancer (MCF-7) cells. Mesucaudatin A (<b>1</b>) exhibited potent cytotoxic activity against HeLa cells and MCF-7 cells with IC<sub>50</sub> values of 0.76 and 9.29 μM, respectively. Macluraxanthone (<b>4</b>) also showed high activity against HeLa cells (IC<sub>50</sub> = 3.96 μM) and moderate activity against MCF-7 cells (IC<sub>50</sub> = 10.10 μM).</p>","PeriodicalId":18990,"journal":{"name":"Natural Product Research","volume":" ","pages":"1-8"},"PeriodicalIF":1.6,"publicationDate":"2026-03-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147344732","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Comprehensive chemical profiling and in silico analysis of bioactive metabolites from the unexplored medicinal plant Koenigia mollis. 未开发药用植物柯尼齐亚(Koenigia mollis)生物活性代谢物的综合化学分析和计算机分析。
IF 1.6 3区 化学 Q3 CHEMISTRY, APPLIED Pub Date : 2026-03-01 DOI: 10.1080/14786419.2026.2637141
Mengukhrienuo Kuotsu, Gaijuliu Gaijuliu, T Tiakaba Jamir, Moaakum Moaakum, Amrit Puzari

Koenigia mollis, an underexplored traditional medicinal plant (MP) from Nagaland, was investigated for its phytochemical composition with emphasis on characterisation of bioactive constituents. Metabolic profiling was conducted using preliminary phytochemical screening, Fourier Transform Infra-red Spectroscopy (FT-IR) and Gas Chromatography-Mass Spectrometry (GC-MS). GC-MS enabled tentative identification of 45 phytochemical (PC) compounds through spectral comparison with reference databases, while FT-IR analysis revealed functional groups supporting structural elucidation. Preliminary screening confirmed the presence of major phytochemical classes such as alkaloids, flavonoids, terpenoids etc. In silico tools were employed where screened compounds exhibited pharmacokinetic properties, drug-likeness and potential biological activities of identified compounds. This study highlights the chemical diversity of Koenigia mollis and provides foundational phytochemical data, contributing valuable insights to the limited knowledge of underexplored medicinal plants and underscoring its medicinal potential.

研究了纳加兰一种未被充分开发的传统药用植物(MP)的植物化学成分,重点研究了其生物活性成分的特征。利用初步的植物化学筛选、傅里叶变换红外光谱(FT-IR)和气相色谱-质谱(GC-MS)进行代谢谱分析。通过与参考数据库的光谱比较,GC-MS初步鉴定了45种植物化学(PC)化合物,而FT-IR分析显示了支持结构阐明的官能团。初步筛选证实其含有生物碱、黄酮类、萜类等主要植物化学成分。在筛选的化合物显示出药代动力学性质,药物相似性和鉴定化合物的潜在生物活性时,使用硅工具。本研究强调了柯尼齐亚(Koenigia mollis)的化学多样性,并提供了基础的植物化学数据,为未被开发的药用植物的有限知识提供了有价值的见解,并强调了其药用潜力。
{"title":"Comprehensive chemical profiling and <i>in silico</i> analysis of bioactive metabolites from the unexplored medicinal plant <i>Koenigia mollis</i>.","authors":"Mengukhrienuo Kuotsu, Gaijuliu Gaijuliu, T Tiakaba Jamir, Moaakum Moaakum, Amrit Puzari","doi":"10.1080/14786419.2026.2637141","DOIUrl":"https://doi.org/10.1080/14786419.2026.2637141","url":null,"abstract":"<p><p><i>Koenigia mollis</i>, an underexplored traditional medicinal plant (MP) from Nagaland, was investigated for its phytochemical composition with emphasis on characterisation of bioactive constituents. Metabolic profiling was conducted using preliminary phytochemical screening, Fourier Transform Infra-red Spectroscopy (FT-IR) and Gas Chromatography-Mass Spectrometry (GC-MS). GC-MS enabled tentative identification of 45 phytochemical (PC) compounds through spectral comparison with reference databases, while FT-IR analysis revealed functional groups supporting structural elucidation. Preliminary screening confirmed the presence of major phytochemical classes such as alkaloids, flavonoids, terpenoids etc. <i>In silico</i> tools were employed where screened compounds exhibited pharmacokinetic properties, drug-likeness and potential biological activities of identified compounds. This study highlights the chemical diversity of <i>Koenigia mollis</i> and provides foundational phytochemical data, contributing valuable insights to the limited knowledge of underexplored medicinal plants and underscoring its medicinal potential.</p>","PeriodicalId":18990,"journal":{"name":"Natural Product Research","volume":" ","pages":"1-7"},"PeriodicalIF":1.6,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147326688","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Flavonol glycosides from Eriocaulon buergerianum Körn. and their α-glucosidase inhibitory effects. 黄酮醇苷从白莲Körn。及其α-葡萄糖苷酶抑制作用。
IF 1.6 3区 化学 Q3 CHEMISTRY, APPLIED Pub Date : 2026-02-28 DOI: 10.1080/14786419.2026.2636162
Hongyan Yao, Jing Zhu, Zhaoyin Zhou, Zhijian Xu, Kaixian Chen, Weiliang Zhu, Yong Zhang

A new flavonol glycoside, patuletin 3-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside-7-O-β-D-glucopyranoside (1), together with three known flavonol glycosides (2-4) were isolated from Eriocaulon buergerianum Körn. Their structures were illuminated by comprehensive spectral methods and chemical methods. Molecular docking and deep learning studies showed that these compounds have potential α-glucosidase inhibitory activity. Α-glucosidase inhibition assay showed that the IC50 values of four flavonol glycosides (1-4), along with two aglycones, patuletin (5) and quercetin (6), were 205.2, 169.8, 508.5, 547.3, 57.0 and 14.5 μM, respectively. The acid hydrolysis experiment of the aqueous extract indicated that the flavonoids in this plant are mainly flavonol glycosides containing patuletin. Therefore, the flavonoids containing patuletin in this plant may be important constituents for its hypoglycaemic activity.

从牛角甘蓝Körn中分离到一种新的黄酮醇糖苷,球曲素3-O-β- d -glucopyranosyl-(1→6)-β- d -glucopyranoside-7- o -β- d -glucopyranoside(1)和3种已知的黄酮醇糖苷(2-4)。用综合光谱法和化学方法对其结构进行了分析。分子对接和深度学习研究表明,这些化合物具有潜在的α-葡萄糖苷酶抑制活性。Α-glucosidase抑制实验表明,4种黄酮醇苷(1-4)和2种苷元(展曲素(5)和槲皮素(6))的IC50值分别为205.2、169.8、508.5、547.3、57.0和14.5 μM。水提物的酸水解实验表明,该植物中黄酮类化合物主要为含展曲素的黄酮醇苷类。因此,含展曲霉素的黄酮类化合物可能是其降血糖活性的重要成分。
{"title":"Flavonol glycosides from <i>Eriocaulon buergerianum</i> Körn. and their α-glucosidase inhibitory effects.","authors":"Hongyan Yao, Jing Zhu, Zhaoyin Zhou, Zhijian Xu, Kaixian Chen, Weiliang Zhu, Yong Zhang","doi":"10.1080/14786419.2026.2636162","DOIUrl":"https://doi.org/10.1080/14786419.2026.2636162","url":null,"abstract":"<p><p>A new flavonol glycoside, patuletin 3-<i>O-</i>β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside-7-<i>O</i>-β-D-glucopyranoside (<b>1</b>), together with three known flavonol glycosides (<b>2-4</b>) were isolated from <i>Eriocaulon buergerianum</i> Körn. Their structures were illuminated by comprehensive spectral methods and chemical methods. Molecular docking and deep learning studies showed that these compounds have potential α-glucosidase inhibitory activity. Α-glucosidase inhibition assay showed that the IC<sub>50</sub> values of four flavonol glycosides (<b>1-4</b>), along with two aglycones, patuletin (<b>5</b>) and quercetin (<b>6</b>), were 205.2, 169.8, 508.5, 547.3, 57.0 and 14.5 μM, respectively. The acid hydrolysis experiment of the aqueous extract indicated that the flavonoids in this plant are mainly flavonol glycosides containing patuletin. Therefore, the flavonoids containing patuletin in this plant may be important constituents for its hypoglycaemic activity.</p>","PeriodicalId":18990,"journal":{"name":"Natural Product Research","volume":" ","pages":"1-11"},"PeriodicalIF":1.6,"publicationDate":"2026-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147317084","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
In vitro and in silico inhibition of acetylcholinesterase by acetone extracts of Anvillea garcinii subsp. radiata (Coss. & Durieu) Anderb., Marrubium deserti (de Noé) Coss., and Asphodelus tenuifolius Cav. from the Algerian desert. 黄花百合丙酮提取物对乙酰胆碱酯酶的体外和体内抑制作用。放射虫纲(输出电容。&杜里厄·安德布。,沙漠Marrubium deserti (de no<s:1>) Coss。和细叶牛蒡。来自阿尔及利亚沙漠。
IF 1.6 3区 化学 Q3 CHEMISTRY, APPLIED Pub Date : 2026-02-28 DOI: 10.1080/14786419.2026.2632381
Manal Lakas, Ibrahim Sifi, Imededdine Kadi, Jacobus Nicolaas Eloff

The complex pathophysiology of Alzheimer's disease underscores the need for potent AChE inhibitors. In this context, we investigated, for the first time, the acetone extracts of three Algerian medicinal plants: Anvillea garcinii subsp. radiata (Coss. & Durieu) Anderb., Marrubium deserti (de Noé) Coss., and Asphodelus tenuifolius Cav., through combined in vitro AChE assays, LC-MS/MS metabolite profiling and in silico evaluation. Total phenolic and flavonoid content analyses revealed that M. deserti had the highest levels TPC/TFC (209.8 ± 0.6 mgGAE/g and 161.0 ± 0.9 mgQE/g, respectively). In vitro AChE inhibition assays, showed that galantamine exhibited the strongest activity (4.23 ± 0.02 μg/mL) followed by the A. garcinii subsp. radiata (IC50=122.88 ± 1.30 µg/mL). LC-MS/MS profiling identified 21 compounds, with A. garcinii subsp. radiata displaying the most diverse chemical profile. Molecular docking analysis revealed strong binding affinities, with hesperidin exhibiting the highest binding energy (-11.2 kcal/mol), comparable to the reference drug donepezil (-11.5 kcal/mol).

阿尔茨海默病复杂的病理生理学强调了对强效乙酰胆碱酯酶抑制剂的需求。在此背景下,我们首次研究了三种阿尔及利亚药用植物:Anvillea garcinii subsp。放射虫纲(输出电容。&杜里厄·安德布。,沙漠Marrubium deserti (de no) Coss。和细叶牛蒡。,通过联合体外乙酰胆碱酯酶测定、LC-MS/MS代谢物分析和计算机评价。总酚和类黄酮含量分析结果显示,荒漠草的TPC/TFC含量最高,分别为209.8±0.6 mgGAE/g和161.0±0.9 mgQE/g。体外AChE抑制实验结果表明,加兰他敏的抑酶活性最强(4.23±0.02 μg/mL),其次为黄颡鱼亚群;(IC50=122.88±1.30µg/mL)。LC-MS/MS分析鉴定出21个化合物,其中garcinii亚属;Radiata展示了最多样化的化学特征。分子对接分析显示出较强的结合亲和力,橙皮苷的结合能最高(-11.2 kcal/mol),与参比药物多奈哌齐(-11.5 kcal/mol)相当。
{"title":"<i>In vitro</i> and <i>in silico</i> inhibition of acetylcholinesterase by acetone extracts of <i>Anvillea garcinii</i> subsp. <i>radiata</i> (Coss. & Durieu) Anderb., <i>Marrubium deserti</i> (de Noé) Coss., and <i>Asphodelus tenuifolius</i> Cav. from the Algerian desert.","authors":"Manal Lakas, Ibrahim Sifi, Imededdine Kadi, Jacobus Nicolaas Eloff","doi":"10.1080/14786419.2026.2632381","DOIUrl":"https://doi.org/10.1080/14786419.2026.2632381","url":null,"abstract":"<p><p>The complex pathophysiology of Alzheimer's disease underscores the need for potent AChE inhibitors. In this context, we investigated, for the first time, the acetone extracts of three Algerian medicinal plants: <i>Anvillea garcinii</i> subsp. <i>radiata</i> (Coss. & Durieu) Anderb., <i>Marrubium deserti</i> (de Noé) Coss., and <i>Asphodelus tenuifolius</i> Cav., through combined <i>in vitro</i> AChE assays, LC-MS/MS metabolite profiling and <i>in silico</i> evaluation. Total phenolic and flavonoid content analyses revealed that <i>M. deserti</i> had the highest levels TPC/TFC (209.8 ± 0.6 mgGAE/g and 161.0 ± 0.9 mgQE/g, respectively). <i>In vitro</i> AChE inhibition assays, showed that galantamine exhibited the strongest activity (4.23 ± 0.02 μg/mL) followed by the <i>A. garcinii</i> subsp. <i>radiata</i> (IC<sub>50</sub>=122.88 ± 1.30 µg/mL). LC-MS/MS profiling identified 21 compounds, with <i>A. garcinii</i> subsp. <i>radiata</i> displaying the most diverse chemical profile. Molecular docking analysis revealed strong binding affinities, with hesperidin exhibiting the highest binding energy (-11.2 kcal/mol), comparable to the reference drug donepezil (-11.5 kcal/mol).</p>","PeriodicalId":18990,"journal":{"name":"Natural Product Research","volume":" ","pages":"1-12"},"PeriodicalIF":1.6,"publicationDate":"2026-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147317119","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","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 compounds from Atractylodes japonica Koidz. ex Kitam. 文章标题苍术的两个新化合物。Kitam交货。
IF 1.6 3区 化学 Q3 CHEMISTRY, APPLIED Pub Date : 2026-02-28 DOI: 10.1080/14786419.2026.2634247
Mei Yi, Jing Wang, Jie Sun, Yan Liu, Zhen-Xing Fang, Lei Fu, Yuan-Yuan Zhou

Two new compounds, (1S,5S,7R,10S)-10-hydroxyl-deoxysecoatractylo-δ-lactone-11-O-β-D-glucopyranoside (1) and (3 R,5S,10S)-Atracty-lenolide I-3-O-β-D-apiopyranosyl(1→6)-β-D-glucopyranoside (2), were isolated from the CH2Cl2 extract of Atractylodes japonica Koidz. ex Kitam., along with fifteen known compounds (3-17). Their structures were elucidated by 1D NMR spectroscopy (1H-NMR,1³C-NMR), 2D NMR experiments (HMBC, HMQC, 1H-1H COSY, NOESY), together with high-resolution mass spectrometry. The two compounds exhibited cytotoxicity against the HepG-2 cancer cell line, with IC50 values of 44.34 ± 1.79 and 46.27 ± 1.46 μM, respectively. In addition, compound 1 was evaluated for its cytotoxic activity against the A549 and HeLa cell lines, with IC50 values of 30.54 ± 1.58 and 36.73 ± 1.19 μM, respectively; compound 2 showed strong effects against the BGC-823 and HT-29 cell lines, with IC50 values of 32.53 ± 1.13 and 35.16 ± 1.78 μM, respectively.

从苍术CH2Cl2提取物中分离得到两个新化合物(1S,5S,7R,10S)-10-羟基脱氧二苍术-δ-内酯-11- o- β- d -葡萄糖吡喃苷(1)和(3r,5S,10S)-苍术-烯内酯I-3-O-β-D-apiopyranosyl(1→6)-β- d -葡萄糖吡喃苷(2)。Kitam交货。,以及15种已知化合物(3-17)。通过1D NMR (1H-NMR,1³C-NMR), 2D NMR实验(HMBC, HMQC, 1H-1H COSY, NOESY)以及高分辨率质谱分析对其结构进行了分析。两种化合物对HepG-2癌细胞均表现出细胞毒性,IC50值分别为44.34±1.79 μM和46.27±1.46 μM。化合物1对A549和HeLa细胞株的IC50值分别为30.54±1.58 μM和36.73±1.19 μM;化合物2对BGC-823和HT-29细胞株有较强的抑制作用,IC50值分别为32.53±1.13 μM和35.16±1.78 μM。
{"title":"Two new compounds from <i>Atractylodes japonica</i> Koidz. ex Kitam.","authors":"Mei Yi, Jing Wang, Jie Sun, Yan Liu, Zhen-Xing Fang, Lei Fu, Yuan-Yuan Zhou","doi":"10.1080/14786419.2026.2634247","DOIUrl":"https://doi.org/10.1080/14786419.2026.2634247","url":null,"abstract":"<p><p>Two new compounds, (1<i>S</i>,5<i>S</i>,7<i>R</i>,10<i>S</i>)-10-hydroxyl-deoxysecoatractylo-<i>δ</i>-lactone-11-<i>O</i>-<i>β</i>-D-glucopyranoside (<b>1</b>) and (3 <i>R</i>,5<i>S</i>,10<i>S</i>)-Atracty-lenolide I-3-<i>O</i>-<i>β</i>-D-apiopyranosyl(1→6)-<i>β</i>-D-glucopyranoside (<b>2</b>), were isolated from the CH<sub>2</sub>Cl<sub>2</sub> extract of <i>Atractylodes japonica</i> Koidz. ex Kitam., along with fifteen known compounds (<b>3-17</b>). Their structures were elucidated by 1D NMR spectroscopy (<sup>1</sup>H-NMR,<sup>1</sup>³C-NMR), 2D NMR experiments (HMBC, HMQC, <sup>1</sup>H-<sup>1</sup>H COSY, NOESY), together with high-resolution mass spectrometry. The two compounds exhibited cytotoxicity against the HepG-2 cancer cell line, with IC<sub>50</sub> values of 44.34 ± 1.79 and 46.27 ± 1.46 μM, respectively. In addition, compound <b>1</b> was evaluated for its cytotoxic activity against the A549 and HeLa cell lines, with IC<sub>50</sub> values of 30.54 ± 1.58 and 36.73 ± 1.19 μM, respectively; compound <b>2</b> showed strong effects against the BGC-823 and HT-29 cell lines, with IC<sub>50</sub> values of 32.53 ± 1.13 and 35.16 ± 1.78 μM, respectively.</p>","PeriodicalId":18990,"journal":{"name":"Natural Product Research","volume":" ","pages":"1-10"},"PeriodicalIF":1.6,"publicationDate":"2026-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147317109","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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