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Design, Synthesis, and Evaluation of Cordycepin Derivatives as Antitumor Agents. 虫草素衍生物抗肿瘤药物的设计、合成与评价。
IF 2.5 3区 化学
Chemistry & Biodiversity Pub Date : 2025-10-04 DOI: 10.1002/cbdv.202501840
Linlin Cui, Zheng Xu, Yu Zhu, Xuan Liu, Shihao Li, Li Zhao, Zhihua Xing, Guanghuan Shen
{"title":"Design, Synthesis, and Evaluation of Cordycepin Derivatives as Antitumor Agents.","authors":"Linlin Cui, Zheng Xu, Yu Zhu, Xuan Liu, Shihao Li, Li Zhao, Zhihua Xing, Guanghuan Shen","doi":"10.1002/cbdv.202501840","DOIUrl":"https://doi.org/10.1002/cbdv.202501840","url":null,"abstract":"<p><p>This study aimed to design and synthesize a series of novel cordycepin derivatives featuring urea groups to explore the antitumor efficacy of natural product derivatives with enhanced potency. The structures of the target compounds were characterized using infrared spectroscopy (IR), proton/carbon nuclear magnetic resonance spectroscopy (<sup>1</sup>H and <sup>13</sup>C NMR), high-performance liquid chromatography (HPLC), and high-resolution mass spectrometry (HRMS). In vitro activity against MCF-7, HepG-2, SGC-7901, and HK-2 cells was evaluated using the standard methyl thiazolyltetrazolium assay (MTT), revealing that compound 4l exhibited significant inhibitory effects on HepG-2 cells (IC<sub>50</sub> = 14.86 ± 2.37 µM), outperforming cordycepin. Mechanistic studies indicated that 4l induced dose-dependent apoptosis, arrested the cell cycle at the G<sub>0</sub>/G<sub>1</sub> phase, and activated the intrinsic mitochondrial pathway. Molecular docking simulations further elucidated its binding mode with target proteins. Collectively, compound 4l shows promise as a candidate drug for liver cancer therapy.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e01840"},"PeriodicalIF":2.5,"publicationDate":"2025-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145228353","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
Natural Products Inhibit Bacterial Growth and Modulate Quorum-Sensing Systems Las and Rhl in Pseudomonas aeruginosa PA14. 铜绿假单胞菌PA14中天然产物抑制细菌生长和调节群体感应系统Las和Rhl。
IF 2.5 3区 化学
Chemistry & Biodiversity Pub Date : 2025-10-03 DOI: 10.1002/cbdv.202502040
Oswaldo Pablo Martínez-Rodríguez, Rodolfo García-Contreras, Rodrigo Aguayo-Ortiz, Itzel Rubí Yeverino, Carlos A Fajardo-Hernández, Albert D Patiño, Hugo A Hernández Pérez, Mariel Hernández-Garnica, Mario Figueroa
{"title":"Natural Products Inhibit Bacterial Growth and Modulate Quorum-Sensing Systems Las and Rhl in Pseudomonas aeruginosa PA14.","authors":"Oswaldo Pablo Martínez-Rodríguez, Rodolfo García-Contreras, Rodrigo Aguayo-Ortiz, Itzel Rubí Yeverino, Carlos A Fajardo-Hernández, Albert D Patiño, Hugo A Hernández Pérez, Mariel Hernández-Garnica, Mario Figueroa","doi":"10.1002/cbdv.202502040","DOIUrl":"https://doi.org/10.1002/cbdv.202502040","url":null,"abstract":"<p><p>Quorum sensing (QS) is a bacterial cell communication system in Pseudomonas aeruginosa, which regulates the production of several virulence factors, including pyocyanin, exoproteases, and biofilm formation. Natural products (NPs) have demonstrated their ability to control QS in different bacteria. This work evaluated the antimicrobial and anti-QS potential of a small library of NPs from Mexican biodiversity against P. aeruginosa PA14. Alternariol 4-methyl ether (12), iridoskyrin (17), and 5,8-epi-dioxyergosta-6,9(11),22-trien-3-ol (39) showed the most potent antimicrobial activity at both test concentrations. Regarding anti-QS activity, fuscin (13), neosartorin (18), 8'-hydroxy zearalenone (21), penicillic acid (26), 5,6-dehydroxypenicillic acid (27), pitholide B (36), and citrinin (38) inhibited pyocyanin production, exoproteases activity, and biofilm formation at the lowest concentration without significantly altering growth. Subsequently, in silico studies of deep-learning molecular docking and molecular dynamics indicated the putative mechanism of action of these compounds through their binding to the ligand-binding domains of LasR and RhlR, target proteins that control QS systems. These results demonstrate that NPs, such as pitholide B (36) and citrinin (38), are potential candidates against P. aeruginosa.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e02040"},"PeriodicalIF":2.5,"publicationDate":"2025-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145224937","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
Comparative Study Between Orah Mandarin Peel and Traditional Mandarin Peels (Chenpi) Based on Data-Repository-Enabled Ultra-High-Performance Liquid Chromatography-Quadrupole-Orbitrap-Mass Spectrometry Analysis. 基于超高效液相色谱-四极杆-轨道-质谱分析的陈皮柑皮与陈皮柑皮的比较研究
IF 2.5 3区 化学
Chemistry & Biodiversity Pub Date : 2025-10-03 DOI: 10.1002/cbdv.202501661
Hanxiao Chai, Xican Li, Shaoman Chen, Dan Lin, Rongxin Cai, Anyuang Yang, Cuiling Pan, Jianwu Li, Difang Deng
{"title":"Comparative Study Between Orah Mandarin Peel and Traditional Mandarin Peels (Chenpi) Based on Data-Repository-Enabled Ultra-High-Performance Liquid Chromatography-Quadrupole-Orbitrap-Mass Spectrometry Analysis.","authors":"Hanxiao Chai, Xican Li, Shaoman Chen, Dan Lin, Rongxin Cai, Anyuang Yang, Cuiling Pan, Jianwu Li, Difang Deng","doi":"10.1002/cbdv.202501661","DOIUrl":"https://doi.org/10.1002/cbdv.202501661","url":null,"abstract":"<p><p>Orah mandarin is a new and hybrid fruit. Orah mandarin peel (OMP) and three traditional mandarin peels (TMPs, Chinese \"Chenpi\") were comparatively analyzed using data-repository-aided ultra-high-performance liquid chromatography-quadrupole-orbitrap-tandem mass spectrometry. The analysis has identified and quantified 52 compounds (including 35 phytophenols). Meanwhile, nine isomers were also distinguished, and 18 \"unexpected\" compounds were found in mandarin peels for the first time. Hesperidin was found to be the most abundant phytophenol in both OMP and three TMPs. All identified phytophenols were individually evaluated for antioxidant capacities. Their antioxidant percentages were further multiplied by the corresponding chemical contents to calculate the antioxidant contribution (AC) values. Ten phytophenols play a dominant role in AC in the whole peel and show similar distribution in the four peels. Thus, from the angle of antioxidant chemistry, OMP is similar to three TMPs and may serve as a potential functional food similar to Chenpi products (especially Guagnchenpi). Nevertheless, OMP can be recognized by some specific compounds (e.g., isofraxidin and xanthotoxin).</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e01661"},"PeriodicalIF":2.5,"publicationDate":"2025-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145224881","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
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":"<p><p>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'-NO<sub>2</sub> (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 k<sub>w</sub>) in the range of 3.90 - 4.47, e.g., mesoionic compound containing nitro-moiety (14, IC<sub>50</sub> = 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, IC<sub>50</sub> = 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.</p>","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":"<p><p>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.</p>","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":"<p><p>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<sup>•</sup>, ABTS•<sup>+</sup>, 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 (IC<sub>50</sub> > 400 µg/mL), and strong urease inhibition (IC<sub>50</sub> = 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.</p>","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
{"title":"Three New Phenyl Ether Derivatives From the Deep-Sea-Derived Fungus Aspergillus sp. SCSIO 41230.","authors":"Yanchun He, Shuna Xu, Juan Gao, Juan Liu, Xuefeng Zhou, Yonghong Liu, Xiaoyong Zhang, Bin Yang","doi":"10.1002/cbdv.202502248","DOIUrl":"https://doi.org/10.1002/cbdv.202502248","url":null,"abstract":"<p><p>Three new phenyl ether derivatives (1-3) and 11 known compounds (4-14) were isolated from the deep-sea-derived fungus Aspergillus sp. SCSIO 41230. The structures of the new compounds were elucidated by analysis of the nuclear magnetic resonance (NMR), high-resolution electrospray ionization mass spectrometry, and NMR calculations. The bioassays indicated that compound 6 showed weak cytotoxic activity against PC-3 and 22Rv1 cells, and compound 4 exhibited antibacterial activity against methicillin-resistant Staphylococcus aureus with a minimum inhibitory concentration value of 4.13 µg/mL.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e02248"},"PeriodicalIF":2.5,"publicationDate":"2025-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145198517","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
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":"<p><p>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.</p>","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":"<p><p>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 (IC<sub>50</sub>: 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.</p>","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":"<p><p>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.</p>","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
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