Chemistry & Biodiversity最新文献_第5页

Enzymatic Poly(gallic acid)-grafted L-Histidine Reduces Cell Inflammation and Oxidative Stress: In Silico and In Vitro Studies. 酶促聚没食子酸- l -组氨酸嫁接减少细胞炎症和氧化应激：在硅和体外研究。

IF 2.5 3区化学

Chemistry & Biodiversity Pub Date : 2026-04-01 DOI: 10.1002/cbdv.71266

Carmen G Hernández-Valencia, Iris N Serratos, Carlos M Torre-Morales, Rosa Isela Ortiz-Huidobro, Alfredo Vázquez, José Pedraza-Chaverri, Valentín Martínez-López, Javier Fernández-Torres, Roberto Sánchez-Sánchez, Yessica Zamudio-Cuevas, Miquel Gimeno

{"title":"Enzymatic Poly(gallic acid)-grafted L-Histidine Reduces Cell Inflammation and Oxidative Stress: In Silico and In Vitro Studies.","authors":"Carmen G Hernández-Valencia, Iris N Serratos, Carlos M Torre-Morales, Rosa Isela Ortiz-Huidobro, Alfredo Vázquez, José Pedraza-Chaverri, Valentín Martínez-López, Javier Fernández-Torres, Roberto Sánchez-Sánchez, Yessica Zamudio-Cuevas, Miquel Gimeno","doi":"10.1002/cbdv.71266","DOIUrl":"https://doi.org/10.1002/cbdv.71266","url":null,"abstract":"Enzyme-mediated poly(gallic acid) (PGAL) exhibits intrinsic anti-inflammatory and antioxidant properties; in this study, its chemical functionality was enhanced by microwave-assisted grafting of L-histidine to obtain PGAL-His. Incorporation of the amino acid into the PGAL backbone reached 33.24 ± 0.74 mol%. Molecular docking and binding energy calculations were used to model PGAL-His interactions, revealing that the NH3 + and COO- groups, together with the nitrogen atoms of the imidazole ring, play a central role in stabilizing electrostatic interactions. In vitro assays demonstrated reduced adhesion of inflammation-associated immune cells in a THP-1 macrophage model. Furthermore, PGAL-His significantly decreased reactive oxygen species (ROS) levels and reduced the secretion of the pro-inflammatory cytokines IL-6, TNF-α, and IL-1β in THP-1 cell cultures. These results indicate that PGAL-His is a promising chemically modified polyphenolic material with potential applications as a therapeutic tool for the management of immune-mediated inflammatory diseases.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":"23 4","pages":"e71266"},"PeriodicalIF":2.5,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13112469/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147763769","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Exploring the Nutraceutical Potential of Extra Virgin Olive Oils From Sicilian Well-Known and Lesser-Known Cultivars. 探索西西里知名和不知名品种的特级初榨橄榄油的营养潜力。

IF 2.5 3区化学

Chemistry & Biodiversity Pub Date : 2026-04-01 DOI: 10.1002/cbdv.202503286

Ali Mert Yetisgin, Giovanni Bartolomeo, Nicola Cicero, Nicola Micale, Rosaria Costa, Mariateresa Cristani

{"title":"Exploring the Nutraceutical Potential of Extra Virgin Olive Oils From Sicilian Well-Known and Lesser-Known Cultivars.","authors":"Ali Mert Yetisgin, Giovanni Bartolomeo, Nicola Cicero, Nicola Micale, Rosaria Costa, Mariateresa Cristani","doi":"10.1002/cbdv.202503286","DOIUrl":"https://doi.org/10.1002/cbdv.202503286","url":null,"abstract":"This study examined the health benefits of extra virgin olive oils (EVOOs) from three different Sicilian cultivars, namely Nocellara del Belice, Ogliarola Messinese, and the lesser-known Verdello, grown in the regions of Agrigento and Messina. The quality parameters of the EVOOs, including free acidity, peroxide value, oxidation indices, and fatty acid composition, were first evaluated. Subsequently, the hydroalcoholic extracts of these oils (EVOOEs) were examined and their content of polyphenols was determined using HPLC and UV-vis spectrophotometry, as well as their antioxidant capacity (DPPH, ABTS, ORAC, and FRAP tests) and anti-inflammatory properties (COX-1/COX-2 inhibition assay) were also determined. The results showed significant qualitative and quantitative differences between cultivars: Nocellara and Verdello showed, in order, a higher content of both polyphenols (phenolic acids + flavonoids) than Ogliarola, correlated with a higher antioxidant activity profile and greater health-promoting potential. In addition, all extracts showed modest inhibition of COX-1 compared to COX-2, indicating potential selective anti-inflammatory effects. These results highlight the nutritional value of Sicilian EVOOs and the importance of cultivar selection. They also underscore the contribution of Sicilian olive oil production to dietary and therapeutic applications.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":"23 4","pages":"e03286"},"PeriodicalIF":2.5,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13112324/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147763772","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Rhamnetin Identified as a Potent Multidrug Resistance Reversal Agent From Xinjiang Euphorbia: Integrated Network Pharmacology, Molecular Simulation, and In Vitro Validation. 从新疆大戟中鉴定出一种有效的多药耐药逆转剂：综合网络药理学、分子模拟和体外验证。

IF 2.5 3区化学

Chemistry & Biodiversity Pub Date : 2026-04-01 DOI: 10.1002/cbdv.202501952

Haochan Zhu, Yina Ding, Yujie Li, Zubair Akram, Anam Arshad, Zhendan Wang, Yuhao Liu, Taixia Song, Yunzhen Yang, Bo Han, Yakun Sun, Chimengul Turghun

{"title":"Rhamnetin Identified as a Potent Multidrug Resistance Reversal Agent From Xinjiang Euphorbia: Integrated Network Pharmacology, Molecular Simulation, and In Vitro Validation.","authors":"Haochan Zhu, Yina Ding, Yujie Li, Zubair Akram, Anam Arshad, Zhendan Wang, Yuhao Liu, Taixia Song, Yunzhen Yang, Bo Han, Yakun Sun, Chimengul Turghun","doi":"10.1002/cbdv.202501952","DOIUrl":"https://doi.org/10.1002/cbdv.202501952","url":null,"abstract":"Multidrug resistance (MDR) reduces chemotherapy efficacy and contributes to cancer relapse, making the development of low-toxicity MDR reversal agents essential. Xinjiang Euphorbia species have demonstrated potential as natural MDR reversers. This study aimed to identify MDR-reversal components from Xinjiang Euphorbia (Ep-XjC), investigate Rhamnetin's effect on the ABCB1 protein to clarify its MDR-reversal mechanism, provide new insights into Rhamnetin's anti-MDR properties, and support the development and application of anti-MDR constituents from Ep-XjC. Network pharmacology was used to screen compounds and predict targets, molecular docking and dynamics simulations to validate interactions, and in vitro assays to evaluate MDR reversal and ABCB1 modulation. Network pharmacology identified 388 potential target genes and 1732 MDR-related genes, with Rhamnetin (D37) showing the most promising results. Molecular docking and molecular dynamics simulations revealed stable interactions between D37 and ABCB1, the key protein responsible for MDR. Functional validation confirmed that D37 modulated ABCB1's functionality to reverse MDR without affecting its expression. The findings reveal Rhamnetin (D37) as a promising MDR reversal agent by modulating ABCB1 activity, highlighting Ep-XjCEuphorbia bioactive compounds as potential therapeutic strategies against cancer MDR. Further in vivo and clinical validation is warranted.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":"23 4","pages":"e01952"},"PeriodicalIF":2.5,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147763792","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

Waste-to-Packaging: Biodegradable Chitosan Films Reinforced With Polyphenol-Rich Olive Agro-Residues. 废物包装：富含多酚的橄榄农业残留物增强的可生物降解壳聚糖薄膜。

IF 2.5 3区化学

Chemistry & Biodiversity Pub Date : 2026-04-01 DOI: 10.1002/cbdv.202503524

Wahid Ben Khadda, Othmane Dardari, Agata Majkut, Beata Bielska, Natalia Wrońska, Katarzyna Lisowska, Nadia Katir, Maria Bryszewska, Katarzyna Miłowska, Abdelkrim El Kadib

{"title":"Waste-to-Packaging: Biodegradable Chitosan Films Reinforced With Polyphenol-Rich Olive Agro-Residues.","authors":"Wahid Ben Khadda, Othmane Dardari, Agata Majkut, Beata Bielska, Natalia Wrońska, Katarzyna Lisowska, Nadia Katir, Maria Bryszewska, Katarzyna Miłowska, Abdelkrim El Kadib","doi":"10.1002/cbdv.202503524","DOIUrl":"https://doi.org/10.1002/cbdv.202503524","url":null,"abstract":"The replacement of fossil-based plastics with active, biodegradable packaging derived from renewable resources is a critical step toward a sustainable and circular economy. In this work, we introduce an integrated waste-to-packaging strategy that transforms chitosan extracted from shellfishery by-products and olive oil agro-residues (olive mill wastewater and olive pomace) into mechanically-sustained, antioxidant, and antimicrobial coating films. Initially, model chitosan films were engineered by incorporating syringic and caffeic acids, followed by the direct utilization of crude agricultural waste extracts as polyphenol-rich additives. Notably, agro-waste was successfully incorporated into the chitosan films at 5%, 10%, 20%, and 50% without compromising their formation, quality, or flexibility. The mechanical properties of the films have been improved significantly, with tensile strength (TS) reaching 62 MPa for caffeic acid-enriched films (20%) compared to 35 MPa for pristine chitosan films. Antioxidant capacity was markedly enhanced, with films enriched with caffeic acid reaching 99.4% inhibition in the ABTS radical scavenging assay. The antimicrobial activity was broad-spectrum, with the films showing up to 90% inhibition against S. aureus and S. epidermidis, and 50% inhibition against P. aeruginosa. Biocompatibility assessments confirmed negligible hemolytic and cytotoxic effects, with cell viability reaching up to 115% for syringic acid-modified films at 20% concentration. This metal-free and synthetic additive-free approach not only valorizes two major agro-industrial waste streams but also delivers cost-effective, multifunctional packaging materials, offering a scalable solution to both plastic pollution and organic waste disposal.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":"23 4","pages":"e03524"},"PeriodicalIF":2.5,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147763818","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

Unveiling the Potential of Isoquinoline-Tethered 1,2,3-Triazoles as Promising Anti-Biofilm Agents Against Candida albicans: Synthesis, Biological Evaluation, ADME, and Molecular Docking Studies. 揭示异喹啉系链1,2,3-三唑作为抗白色念珠菌生物膜剂的潜力：合成、生物学评价、ADME和分子对接研究

IF 2.5 3区化学

Chemistry & Biodiversity Pub Date : 2026-04-01 DOI: 10.1002/cbdv.202503083

Pooja B Chaluvaraju, Ramith Ramu, Shivananju Nanjunda Swamy, Vilas Gowda K B, Kumar A C, Babu S Priya

{"title":"Unveiling the Potential of Isoquinoline-Tethered 1,2,3-Triazoles as Promising Anti-Biofilm Agents Against Candida albicans: Synthesis, Biological Evaluation, ADME, and Molecular Docking Studies.","authors":"Pooja B Chaluvaraju, Ramith Ramu, Shivananju Nanjunda Swamy, Vilas Gowda K B, Kumar A C, Babu S Priya","doi":"10.1002/cbdv.202503083","DOIUrl":"10.1002/cbdv.202503083","url":null,"abstract":"A library of twelve new 1-phenyl-1,2,3,4-tetrahydroisoquinoline tethered 1-phenyl-1H-1,2,3-triazol-4-yl-methyl derivatives 7(a-l) were synthesized via copper-catalyzed azide alkyne cycloaddition. The synthesized derivatives were characterized by 1H-NMR, 13C-NMR, and mass spectrometry techniques. All the derivatives were screened for in vitro antifungal activity against an opportunistic pathogen Candida albicans by broth microdilution method. The study revealed that compound 7i exhibited the potent antifungal profile with minimum inhibitory concentration (MIC) of 6 µg/mL, minimum fungicidal concentration (MFC) of 32 µg/mL, and it demonstrated 82% biofilm inhibition and 78% filament inhibition. The results showed an improvement over the standard drug fluconazole which exhibited MIC of 8 µg/mL and MFC of 64 µg/mL, 78% biofilm inhibition, and 65% of filament inhibition. Further the inhibition was confirmed by SEM analysis and qRT-PCR was conducted against HWP1, EFG1, and ALS3 genes. In addition, an in silico molecular docking study was carried out to demonstrate the interactions between the synthesized compounds and target amino acids. ADMET analysis indicated all the compounds met the criteria of drug-likeness and follow Lipinski's rule of five. Further optimization of these derivatives could yield promising therapeutics for Candidal infections.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":"23 4","pages":"e03083"},"PeriodicalIF":2.5,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147728602","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

Characterization of S1 Nuclease Activity on Poly-Adenine Coated Gold Nanoparticle Surfaces. 聚腺嘌呤包覆金纳米颗粒表面S1核酸酶活性的表征。

IF 2.5 3区化学

Chemistry & Biodiversity Pub Date : 2026-04-01 DOI: 10.1002/cbdv.71201

Yuhan Wang, Ying Chen, Weiwei Shen, Wanhao Li, Hideya Kawasaki, Yahui Guo

引用次数: 0

Secondary Metabolites of Ainsliaea fragrans and Their Cytotoxic Activity. 香蚕次生代谢产物及其细胞毒活性研究。

IF 2.5 3区化学

Chemistry & Biodiversity Pub Date : 2026-04-01 DOI: 10.1002/cbdv.202503421

Meng-Fei Wang, Wei-Cheng He, Yi-Nan Lou, Qing Zhu, Jia-Rong Li, Lan-Ying Chen, Rong-Hua Liu

引用次数: 0

Antinociceptive Effect of Cinnamaldehyde in Male Mice: Investigation of the Mechanisms of Action Through In Silico and In Vivo Approaches. 肉桂醛对雄性小鼠的抗伤感受作用：通过体内和体内方法研究其作用机制。

IF 2.5 3区化学

Chemistry & Biodiversity Pub Date : 2026-04-01 DOI: 10.1002/cbdv.202503228

Renaly I de A Rêgo, Hugo F O Pires, Arthur L Dias, Maria Caroline R B Remigio, Humberto H N de Andrade, Pablo R da Silva, Natália F de Sousa, Luciana Scotti, Marcus T Scotti, Mirian G S S Salvadori, Ricardo D de Castro

{"title":"Antinociceptive Effect of Cinnamaldehyde in Male Mice: Investigation of the Mechanisms of Action Through In Silico and In Vivo Approaches.","authors":"Renaly I de A Rêgo, Hugo F O Pires, Arthur L Dias, Maria Caroline R B Remigio, Humberto H N de Andrade, Pablo R da Silva, Natália F de Sousa, Luciana Scotti, Marcus T Scotti, Mirian G S S Salvadori, Ricardo D de Castro","doi":"10.1002/cbdv.202503228","DOIUrl":"https://doi.org/10.1002/cbdv.202503228","url":null,"abstract":"Cinnamaldehyde (CA), a major component of Cinnamomum spp. essential oils, has recognized bioactivity, including possible analgesic effects. However, its acute antinociceptive mechanisms remain unclear. This study assessed the influence of CA (15, 30, and 60 mg/kg, p.o.) on locomotor and exploratory behaviors via rotarod and open field tests in male Swiss mice. Antinociceptive activity was evaluated using chemical and thermal nociception models. Mechanistic investigations were performed in the opioid and adrenergic systems, as well as in silico molecular docking in nociceptive targets. A significance level of p = 0.01 was adopted. CA significantly reduced nociceptive behaviors in all models without impairing motor coordination. In the formalin test, it inhibited neurogenic and inflammatory phases. In glutamate and capsaicin tests, CA markedly reduced nociceptive responses. In the hot plate test, it increased latency at 30 mg/kg. Naloxone reversed the antinociceptive effect of CA in the formalin test, supporting the hypothesis of opioid receptor involvement, while yohimbine partially blocked the response, suggesting α2-adrenergic contribution. Docking simulations showed favorable interactions of CA with κ- and δ-opioid receptors, NMDA, AMPA, and TRPV1, supporting a multimodal mechanism. CA displays acute antinociceptive activity, and the findings suggest the involvement of central pathways, including opioid and adrenergic systems.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":"23 4","pages":"e03228"},"PeriodicalIF":2.5,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13112334/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147763472","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Kinase Inhibitors: A Promising Approach for Targeted Cancer Therapy. 激酶抑制剂：一种有希望的靶向癌症治疗方法。

IF 2.5 3区化学

Chemistry & Biodiversity Pub Date : 2026-04-01 DOI: 10.1002/cbdv.202503338

Vishakha Sharma, Ankush Kumar, Rajesh Gour, Kapil Kumar

{"title":"Kinase Inhibitors: A Promising Approach for Targeted Cancer Therapy.","authors":"Vishakha Sharma, Ankush Kumar, Rajesh Gour, Kapil Kumar","doi":"10.1002/cbdv.202503338","DOIUrl":"https://doi.org/10.1002/cbdv.202503338","url":null,"abstract":"Cancer develops through unrestrained cell reproduction, which occurs because of genetic alterations, and it leads to 18.1% of fatalities from noninfectious diseases throughout India. The World Health Organization (WHO) and the United Nations Department of Economic and Social Affairs (UNDESA) report that cancer cases will experience substantial growth during the upcoming 20 years. Breast cancer leads to the highest number of female deaths, while lung cancer stands as the most common cause of death for males. The Global Cancer Observatory (GLOBOCAN) reports show that cancer cases increased from 18.1 million in 2018 to about 19 million in 2020. Current therapies have made progress, yet drug resistance and restricted selectivity, together with dangerous side effects, still prevent effective long-term treatment success. Kinase inhibitors have emerged as a promising class of targeted therapeutics that selectively modulate dysregulated signaling pathways involved in cancer progression. The field lacks a complete and recent evaluation of newly developed kinase inhibitors, which target multiple signaling pathways. The study systematizes and evaluates kinase inhibitors, which target receptor tyrosine kinases (RTKs) and sucrose non-fermenting-1/AMP-activated protein kinase (Snf1/AMPK). The review focuses on recently synthesized molecules (2020-2025) which target major receptors such as EGFR and VEGFR and MELK and acetyl coenzyme A-related pathways. The work presents a comprehensive summary of recent developments in the field while showing structural activity relationships and pointing out future research paths for anticancer-based kinase inhibitor development.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":"23 4","pages":"e03338"},"PeriodicalIF":2.5,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147763835","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

Four New Dibenzo-α-pyrones From Helicosporium sexuale LZ15. 性缕孢LZ15中4个新二苯并-α-吡咯酮。

IF 2.5 3区化学

Chemistry & Biodiversity Pub Date : 2026-04-01 DOI: 10.1002/cbdv.71229

Lijuan Zhang, Xiaoyan Ma, Meiyan Han, Dege Zheng, Jian Ma, Xingjuan Xiao, Yuanpin Xiao, Ruvishika S Jayawardena, Ausana Mapook, Kevin David Hyde, Yongzhong Lu

引用次数: 0