Chemistry & Biodiversity最新文献_第7页

Antitumoral Profile of 1,3,4-Thiadiazolium Salts: Insights Into a Combinatory Therapeutic Approach With Flavonoid Quercetin. 1,3,4-噻二唑盐的抗肿瘤特征：与类黄酮槲皮素联合治疗的见解。

IF 2.5 3区化学

Chemistry & Biodiversity Pub Date : 2025-10-03 DOI: 10.1002/cbdv.202501903

Otávio Augusto Chaves, Juliana Echevarria-Lima, Carlos Serpa, Áurea Echevarria

{"title":"Antitumoral Profile of 1,3,4-Thiadiazolium Salts: Insights Into a Combinatory Therapeutic Approach With Flavonoid Quercetin.","authors":"Otávio Augusto Chaves, Juliana Echevarria-Lima, Carlos Serpa, Áurea Echevarria","doi":"10.1002/cbdv.202501903","DOIUrl":"https://doi.org/10.1002/cbdv.202501903","url":null,"abstract":"Based on the biological relevance of synthetic dipolar heterocyclics, fourteen mesoionic compounds, that is, 4-phenyl-5-(4' or 3' or 2',4'-R-styryl)-1,3,4-thiadiazolium-2-phenylamine chlorides (R = H (1), 4'-F (2), 4'-Cl (3), 4'-Br (4), 3'-Cl (5), 3'-Br (6), 2',4'-diF (7), 2',4'-diCl (8), 4'-OH (9), 2'-OMe (10), 4'-OEt (11), 4'-Me (12), 4'-OMe (13), and 4'-NO2 (14)) were in silico evaluated to suggest their potential antitumoral profile, being validated by in vitro and in vivo assays against a mammary adenocarcinoma (Ehrlich tumor) and an undifferentiated mesenchymal sarcoma (S180 tumor). The compounds that had potency lower than 20 µM were those with the experimental hydrophobicity (log kw) in the range of 3.90 - 4.47, e.g., mesoionic compound containing nitro-moiety (14, IC50 = 7.78 ± 0.06 µM) was identified as the leading compound to inhibit Ehrlich tumor proliferation, following the best docking score values obtained to KIT kinase domain and inducible nitric oxide synthase. In contrast, the mesoionic compound with hydroxy-moiety (9, IC50 = 5.92 ± 0.67 µM) in the styryl aromatic ring was the most active in S180 tumour cells. The synergism of the natural flavonoid Quercetin with 14 and 9 was in vivo evaluated, opening new avenues to antitumoral treatment.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e01903"},"PeriodicalIF":2.5,"publicationDate":"2025-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145224892","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

Polyamines in Bee and Floral Pollen: Botanical Origin and Potential as Functional Food Ingredients. 蜂花粉和花花粉中的多胺：植物来源及其作为功能性食品成分的潜力。

IF 2.5 3区化学

Chemistry & Biodiversity Pub Date : 2025-10-03 DOI: 10.1002/cbdv.202501540

Jelena Spremo, Predrag Radišić, Marko Kebert, Danijela Kojić, Jelena Purać, Srđana Đorđievski, Tatjana V Čelić, Elvira L Vukašinović

{"title":"Polyamines in Bee and Floral Pollen: Botanical Origin and Potential as Functional Food Ingredients.","authors":"Jelena Spremo, Predrag Radišić, Marko Kebert, Danijela Kojić, Jelena Purać, Srđana Đorđievski, Tatjana V Čelić, Elvira L Vukašinović","doi":"10.1002/cbdv.202501540","DOIUrl":"https://doi.org/10.1002/cbdv.202501540","url":null,"abstract":"Pollen, both bee and floral, is recognized as a functional food due to its richness in bioactive compounds, including polyamines (PAs), which are associated with antioxidant and antiaging effects. This study analyzed the total PA content and distribution of individual PAs (putrescine, spermidine, and spermine) in bee and floral pollen collected from various plant species in Vojvodina, Serbia. Results revealed considerable species-specific variability, with floral pollen generally exhibiting higher levels than bee pollen. Notably, floral pollen from Ailanthus altissima, Salix alba, and Zea mays was particularly rich in PAs (564.3, 539.8, and 392.4 mg/kg dry weight, respectively). These findings highlight the potential of ruderal plant species as alternative sources of PAs for functional foods. However, due to the allergenic properties of certain species, caution is warranted-especially for sensitive individuals. Further clinical research and regulations are needed to ensure the safe and effective dietary use of pollen-derived PAs.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e01540"},"PeriodicalIF":2.5,"publicationDate":"2025-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145225038","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

Phytochemical Analysis, In Vitro Biological Activities, and In Silico Prediction of Hydromethanolic Root Extract of Brassica rapa L. From Setif. 芥蓝根氢甲醇提取物的植物化学分析、体外生物活性及计算机预测

IF 2.5 3区化学

Chemistry & Biodiversity Pub Date : 2025-10-03 DOI: 10.1002/cbdv.202501464

Nabila Zaabat, Ahlem Bousetla, Latifa Khattabi, El Hassen Mokrani, Djamila Benouchenne, Hayat Bourekoua, Hocine Laouer, Gema Nieto, Salah Akkal

{"title":"Phytochemical Analysis, In Vitro Biological Activities, and In Silico Prediction of Hydromethanolic Root Extract of Brassica rapa L. From Setif.","authors":"Nabila Zaabat, Ahlem Bousetla, Latifa Khattabi, El Hassen Mokrani, Djamila Benouchenne, Hayat Bourekoua, Hocine Laouer, Gema Nieto, Salah Akkal","doi":"10.1002/cbdv.202501464","DOIUrl":"https://doi.org/10.1002/cbdv.202501464","url":null,"abstract":"Brassica rapa L. is a nutrient-rich plant that plays an integral role in the traditional Algerian diet. This study aimed to evaluate the proximate composition of its powdered roots and to characterize the phytochemical profile of the root extract (BME) using HPLC-Q-TOF-MS analysis. Furthermore, the antioxidant activity of the extract was assessed through DPPH•, ABTS•+, FRAP, and O-phenanthroline assays. The extract exhibited moderate antioxidant activity compared to the employed standards. Quantitative analysis revealed high concentrations of total phenolics (272.43 ± 2.00 µg GAE/mg extract) and flavonoids (32.68 ± 0.1 µg QE/mg extract). The BME also demonstrated significant inhibition of α-amylase (IC50 > 400 µg/mL), and strong urease inhibition (IC50 = 6.68 ± 1.65 µg/mL). In addition, in silico analysis predicted the drug-likeness of taxifolin, a flavonoid identified in the studied extract. This research represents the first comprehensive study on the B. rapa L. extract, integrating both an in silico approach and an in vitro urease inhibition assay, thereby underscoring its potential as a valuable nutritional plant.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e01464"},"PeriodicalIF":2.5,"publicationDate":"2025-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145225036","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

Three New Phenyl Ether Derivatives From the Deep-Sea-Derived Fungus Aspergillus sp. SCSIO 41230. 深海真菌曲霉sp.三种新的苯醚衍生物。SCSIO 41230。

IF 2.5 3区化学

Chemistry & Biodiversity Pub Date : 2025-09-30 DOI: 10.1002/cbdv.202502248

Yanchun He, Shuna Xu, Juan Gao, Juan Liu, Xuefeng Zhou, Yonghong Liu, Xiaoyong Zhang, Bin Yang

引用次数: 0

Comparative Study of Antidiabetic and Antioxidant Properties of Viburnum opulus L. and Viburnum lantana L. (Viburnaceae): LC-MS/MS Profiling of Phenolic Compounds. 桃荚苋和蓝荚苋抗糖尿病和抗氧化性能的比较研究：酚类化合物的LC-MS/MS谱分析。

IF 2.5 3区化学

Chemistry & Biodiversity Pub Date : 2025-09-30 DOI: 10.1002/cbdv.202501794

Zahra Effatparvar, Bilge Aydın, Hafize Yuca, Mehmet Önal, Gökhan Zengin, Ayşe Çiçek Kaya, Songül Karakaya, Agnese Santanatoglia, Ahmed Mustafa, Giovanni Caprioli, Zühal Güvenalp

{"title":"Comparative Study of Antidiabetic and Antioxidant Properties of Viburnum opulus L. and Viburnum lantana L. (Viburnaceae): LC-MS/MS Profiling of Phenolic Compounds.","authors":"Zahra Effatparvar, Bilge Aydın, Hafize Yuca, Mehmet Önal, Gökhan Zengin, Ayşe Çiçek Kaya, Songül Karakaya, Agnese Santanatoglia, Ahmed Mustafa, Giovanni Caprioli, Zühal Güvenalp","doi":"10.1002/cbdv.202501794","DOIUrl":"https://doi.org/10.1002/cbdv.202501794","url":null,"abstract":"This study aimed to evaluate antidiabetic and antioxidant properties of Viburnum opulus and Viburnum lantana aerial parts methanolic extracts, alongside identification of their bioactive constituents using LC-MS/MS analysis. LC-MS/MS analysis revealed that V. lantana leaves had the highest total polyphenol content (78.955 µg/g dry extract), followed by V. opulus twigs (67.203 µg/g dry extract), with chlorogenic acid being the predominant compound in both species. Antidiabetic potential was assessed through inhibition of α-amylase and α-glucosidase enzymes, while antioxidant activity was determined via ABTS and DPPH radical scavenging assays. In the α-glucosidase inhibition assay, methanolic extracts from leaves, fine branches, and fruits of both species exhibited greater inhibitory activity than the positive control, acarbose, with the leaf extract of V. lantana displaying the strongest inhibition. Regarding antioxidant capacity, V. lantana leaf extracts demonstrated the highest efficacy, outperforming α-tocopherol and Trolox. Notably, in the ABTS radical scavenging assay, V. lantana leaf extracts exhibited superior inhibitory effects compared to α-tocopherol and Trolox.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e01794"},"PeriodicalIF":2.5,"publicationDate":"2025-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145198468","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

Antioxidant, Antidiabetic, and Antiobesity Properties of Stachys cretica subsp. anatolica and Its LC-MS/MS Analysis: In Vitro and In Silico Studies. 石竹的抗氧化、抗糖尿病和抗肥胖特性。安纳托利卡及其LC-MS/MS分析：体外和计算机研究。

IF 2.5 3区化学

Chemistry & Biodiversity Pub Date : 2025-09-30 DOI: 10.1002/cbdv.202502336

Semih Bulut, Ravzagül Toslak, Muhammed Tilahun Muhammed, Ahmet Kahraman, Mustafa Abdullah Yilmaz

{"title":"Antioxidant, Antidiabetic, and Antiobesity Properties of Stachys cretica subsp. anatolica and Its LC-MS/MS Analysis: In Vitro and In Silico Studies.","authors":"Semih Bulut, Ravzagül Toslak, Muhammed Tilahun Muhammed, Ahmet Kahraman, Mustafa Abdullah Yilmaz","doi":"10.1002/cbdv.202502336","DOIUrl":"https://doi.org/10.1002/cbdv.202502336","url":null,"abstract":"For many years, Stachys species have been traditionally used against various diseases. This study was carried out to analyze the chemical content of the aerial parts of Stachys cretica subsp. anatolica and to investigate its antioxidant, antidiabetic, and antiobesity effects. Moreover, it was aimed to carry out a molecular modeling study between the strongest activity shown by the extract and its main chemical component. Although the antidiabetic and antiobesity effects of the extract were evaluated by enzyme inhibition tests, its chemical content was analyzed by liquid chromatography-mass spectrometry/mass spectrometry (LC-MS/MS). Molecular modeling studies based on the major component of the extract were investigated by molecular docking and molecular dynamics simulation methods. The extract had significant antioxidant activity and α-glucosidase inhibitory activity (IC50: 24.18 ± 1.44 µg/mL). The extract was found to be rich in quinic acid (55.708 mg/g extract). On the other hand, the computational study disclosed that the major phytocomponents could bind to the α-glucosidase structure and form a stable complex. In conclusion, this extract may be an important resource for pharmaceutical industries.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e02336"},"PeriodicalIF":2.5,"publicationDate":"2025-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145198480","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

Influence of Extraction Method on Physicochemical Properties, Fatty Acid Profile, and Tocol Content of Pistacia lentiscus Oil From the Hodna Subarid Region (Algeria). 提取方法对阿尔及利亚霍德纳半干旱区黄连木油理化性质、脂肪酸谱及油醇含量的影响

IF 2.5 3区化学

Chemistry & Biodiversity Pub Date : 2025-09-29 DOI: 10.1002/cbdv.202501018

Lamia Derradji, Abderrahim Benkhaled, Kıvılcım Yıldız, Zeynep Aksoylu Özbek, Ahmed Nouasri, Pelin Günç Ergönül

{"title":"Influence of Extraction Method on Physicochemical Properties, Fatty Acid Profile, and Tocol Content of Pistacia lentiscus Oil From the Hodna Subarid Region (Algeria).","authors":"Lamia Derradji, Abderrahim Benkhaled, Kıvılcım Yıldız, Zeynep Aksoylu Özbek, Ahmed Nouasri, Pelin Günç Ergönül","doi":"10.1002/cbdv.202501018","DOIUrl":"https://doi.org/10.1002/cbdv.202501018","url":null,"abstract":"The main objective of this study was to assess the influence of the subarid origin and extraction process (traditional hot and cold methods) on the physicochemical properties, fatty acid (FA) composition, and tocol profile of Pistacia lentiscus fruit oil from the Hodna region of Algeria. According to the physicochemical characteristics, differences were observed between oils obtained through cold pressing and hot extraction. The fruit of P. lentiscus yielded an edible oil that is abundant in unsaturated FAs (UFAs), specifically oleic (52.36%-57.94%) and linoleic acids (16.03%-19.57%). The major tocol of HLHO (Hodna lentisk hot oil) was α-tocopherol at 59.96 mg/kg, whereas γ-tocopherol was the predominant tocol of HLCO (Hodna lentisk cold oil) at 19.64 mg/kg. β-Tocotrienol (8.11 mg/kg) and γ-tocotrienol (8.02 mg/kg) were the main tocotrienols of HLHO and HLCO, respectively. The subarid origin of P. lentiscus and the extraction method considerably influenced the physicochemical properties and the FA and tocol compositions of Hodna lentisk oils, especially HLCO, which were rich in UFAs and proved to be valuable sources of vitamin E. These oils could serve as alternatives to synthetic ingredients in the health, culinary, and personal care industries.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e01018"},"PeriodicalIF":2.5,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145191351","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

Uncovering Anti-Inflammatory Mechanisms of Elaeagnus angustifolia Extract via Metabolomic and Phytochemical Analyses. 通过代谢组学和植物化学分析揭示刺叶提取物的抗炎机制。

IF 2.5 3区化学

Chemistry & Biodiversity Pub Date : 2025-09-29 DOI: 10.1002/cbdv.202502170

Amer Imraish, Marwa Seif, Lina Dahabiyeh, Afnan Al-Hunaiti, Mohammad Semreen, Malek Zihlif

{"title":"Uncovering Anti-Inflammatory Mechanisms of Elaeagnus angustifolia Extract via Metabolomic and Phytochemical Analyses.","authors":"Amer Imraish, Marwa Seif, Lina Dahabiyeh, Afnan Al-Hunaiti, Mohammad Semreen, Malek Zihlif","doi":"10.1002/cbdv.202502170","DOIUrl":"https://doi.org/10.1002/cbdv.202502170","url":null,"abstract":"Inflammation is a vital immune response that eliminates harmful stimuli. Building on our previous findings demonstrating the anti-inflammatory activity of Elaeagnus angustifolia (E. ang) aqueous crude extract at 20-80 µg/mL, this study explores its underlying mechanisms and potential biomarkers. Phytochemical profiling via liquid chromatography-tandem mass spectrometry (LC-MS/MS) identified key compounds, primarily quercetin and oleic acid. To further investigate its effects, we used an LC-MS-based metabolomics approach to analyze metabolic alterations in lipopolysaccharide (LPS)-stimulated RAW 264.7 macrophage cells treated with 80 µg/mL of the extract. The treatment significantly altered cellular metabolism, revealing 156 differential metabolites, including amino acids, lipids, and nucleotides (pyrimidines and purines). Pathway analysis showed modulation of several metabolic routes, notably the TCA cycle, beta-oxidation, tyrosine metabolism, niacinamide salvage, and nucleotide metabolism. These results highlight the extract's capacity to modulate inflammation-related pathways at the metabolic level. Overall, our findings support the potential of E. ang aqueous extract as an antioxidant and anti-inflammatory agent. Furthermore, the study demonstrates the utility of metabolomics as a powerful tool for elucidating therapeutic mechanisms and identifying bioactive compounds in natural products.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e02170"},"PeriodicalIF":2.5,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145191298","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

Pollenkitt From Narcissus tazetta: Evaluation of Its UV-Protective Potential as a Plant-Based Biomaterial Source. 水仙花粉基：作为植物基生物材料源的防紫外线潜力评价。

IF 2.5 3区化学

Chemistry & Biodiversity Pub Date : 2025-09-29 DOI: 10.1002/cbdv.202502122

Aslıhan Çetinbaş-Genç, Orçun Toksöz, Özkan Kilin, Nüzhet Cenk Sesal, Giampiero Cai

{"title":"Pollenkitt From Narcissus tazetta: Evaluation of Its UV-Protective Potential as a Plant-Based Biomaterial Source.","authors":"Aslıhan Çetinbaş-Genç, Orçun Toksöz, Özkan Kilin, Nüzhet Cenk Sesal, Giampiero Cai","doi":"10.1002/cbdv.202502122","DOIUrl":"https://doi.org/10.1002/cbdv.202502122","url":null,"abstract":"Pollenkitt, the lipid-rich coating of pollen grains, is a promising natural ultraviolet (UV)-protective source rich in phenolic and flavonoid compounds. This study assessed the UV protection capacity of pollenkitt extracted from Narcissus tazetta using six solvents (dH2O, acetone, diethyl ether, ethanol, chloroform, and methanol). Methanol extracts showed the highest UV absorbance and sun protection factor (SPF) (17.8), despite 35% lower phenolics than ethanol, suggesting specific compounds like rutin and ferulic acid may drive UV protection. Surprisingly, although the dH2O extracts yielded less pollenkitt, they exhibited strong UV absorption SPF (19.1) and antioxidant activity from water-soluble compounds such as gentisic acid. Absorption, distribution, metabolism, excretion, and toxicity (ADMET) analysis predicted favorable bioavailability and low toxicity for most phenolics, with rosmarinic acid being predicted to possess properties associated with anticarcinogenic potential. However, rutin and naringenin were predicted to exhibit a skin sensitization risk. These findings underscore the potential of pollenkitt, specifically methanol and ethanol extracts, as a safe, natural UV shield for cosmetic, packaging, and coating applications.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e02122"},"PeriodicalIF":2.5,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145191306","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

Structural Characterization, In Vitro Antidiabetic Activity, and Molecular Docking Studies of Isolated Compounds From Allamanda cathartica. 泻泻草中分离化合物的结构表征、体外抗糖尿病活性及分子对接研究。

IF 2.5 3区化学

Chemistry & Biodiversity Pub Date : 2025-09-29 DOI: 10.1002/cbdv.202501183

Ritu Tomar, Shashank Shekher Mishra, Vivek Sahu, Jagannath Sahoo, Mandeep K Arora, Santosh Kumar Rath

{"title":"Structural Characterization, In Vitro Antidiabetic Activity, and Molecular Docking Studies of Isolated Compounds From Allamanda cathartica.","authors":"Ritu Tomar, Shashank Shekher Mishra, Vivek Sahu, Jagannath Sahoo, Mandeep K Arora, Santosh Kumar Rath","doi":"10.1002/cbdv.202501183","DOIUrl":"https://doi.org/10.1002/cbdv.202501183","url":null,"abstract":"Allamanda cathartica is a perennial shrub, traditionally used for the treatment of several ailments, including jaundice, malaria, and enlargement of the spleen. Besides ornamental values, the plant also possesses a wide variety of medicinal properties due to the presence of bioactive secondary metabolites of different chemical classes. The present work describes the phytochemical investigation of the leaf part of A. cathartica, which resulted in the isolation of five secondary metabolites (ACL 1-5) of different classes, including β-sitosterol (ACL-1), β-sitosterol glucoside (ACL-2), ursolic acid (ACL-3), plumieride (ACL-4), and pinitol (ACL-5). The compound ACL-5 was reported for the first time from the species. All the compounds were characterized by 1H NMR, 13C NMR, 2D NMR, and HRMS spectral analysis. Further to the plant extract, all the fractions and five isolated compounds were screened for in vitro α-amylase and α-glucosidase activity. The isolated compounds exhibited notable inhibitory activity against carbohydrate-hydrolyzing enzymes. For α-amylase inhibition, IC50 values ranged from 522.95 to 662.67 µg/mL, with plumieride showing the highest potency at a concentration of 522.95 µg/mL and pinitol acetate the lowest at 662.67 µg/mL. Similarly, for α-glucosidase inhibition, IC50 values ranged from 576.82 to 691.12 µg/mL, where plumieride again demonstrated the strongest activity at 576.82 µg/mL and pinitol acetate the lowest at 662.67 µg/mL. In support, all isolated compounds were taken further for molecular modelling studies to observe the rationale of our in vitro studies. Therefore, this work concludes that the isolated compounds ACL-4 and ACL-5 have demonstrated strong antidiabetic potential, with ACL-4 having a somewhat more powerful antidiabetic effect than ACL-5, according to both in vitro and docking experiments.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e01183"},"PeriodicalIF":2.5,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145191341","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