Chemistry & Biodiversity最新文献

Phytochemical characterization and potential anti-oxidative activity of Lavandula angustifolia subsp. pyrenaica (DC.), Lavandula x intermedia Emeric ex Loisel cv Grosso and cv Super essential oils compared to a commercial lavender essential oil.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-02-14 DOI: 10.1002/cbdv.202403478

Eileen Mac Sweeney, Ylenia Pieracci, Vlad Sebastian Popescu, Gianluca Angius, Guido Flamini, Luisa Pistelli, Giulia Abate, Andrea Mastinu

{"title":"Phytochemical characterization and potential anti-oxidative activity of Lavandula angustifolia subsp. pyrenaica (DC.), Lavandula x intermedia Emeric ex Loisel cv Grosso and cv Super essential oils compared to a commercial lavender essential oil.","authors":"Eileen Mac Sweeney, Ylenia Pieracci, Vlad Sebastian Popescu, Gianluca Angius, Guido Flamini, Luisa Pistelli, Giulia Abate, Andrea Mastinu","doi":"10.1002/cbdv.202403478","DOIUrl":"https://doi.org/10.1002/cbdv.202403478","url":null,"abstract":"This study investigates the phytochemical profiles and antioxidant properties of three lavender essential oils (LEOs) from Lavandula angustifolia subsp. pyrenaica (DC.), Lavandula x intermedia Emeric ex Loisel cv Grosso, Lavandula x intermedia Emeric ex Loisel cv Super, and compares them to a commercial one. LEOs were extracted by hydrodistillation, analyzed using gas chromatography-mass spectrometry (GC-MS), and tested for antioxidant effects on human SH-SY5Y neuroblastoma cells. The major components identified in all the four LEOs were linalool and linalyl acetate; however, in the commercial LEO differences in minor compounds and the presence of additives were found. Antioxidant activity assays revealed significant protection against H₂O₂-induced oxidative stress for hydrodistilled EOs, while the commercial EO showed no protective effect. Gene expression analysis indicated upregulation of antioxidant-related genes in cells treated with \"Grosso\" and \"Super\" LEOs. This research highlights the potential therapeutic applications of lavender EOs, with a particular emphasis on the differences between naturally derived oils and commercial variants.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202403478"},"PeriodicalIF":2.3,"publicationDate":"2025-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143413570","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

Cover Feature: Overexpression of the Global Transcriptional Regulator LaeA Leads to Production of Cyclic Lipopeptides in Marine-Derived Aspergillus niger L14 (Chem. Biodiversity 2/2025)

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-02-14 DOI: 10.1002/cbdv.202570202

Wenjuan Zhou, Mengshi Li, Wei Wang, Xuelian Bai, Huawei Zhang

{"title":"Cover Feature: Overexpression of the Global Transcriptional Regulator LaeA Leads to Production of Cyclic Lipopeptides in Marine-Derived Aspergillus niger L14 (Chem. Biodiversity 2/2025)","authors":"Wenjuan Zhou, Mengshi Li, Wei Wang, Xuelian Bai, Huawei Zhang","doi":"10.1002/cbdv.202570202","DOIUrl":"https://doi.org/10.1002/cbdv.202570202","url":null,"abstract":"Cover Feature. Global transcriptional regulators of microorganisms play a key role in gene expression responsible for biosynthesis of various secondary metabolites. In article number e202402704, Huawei Zhang, Xuelian Bai, and co-workers report overexpression of the global transcriptional regulator LaeA in a marine sponge-derived fungus Aspergillus niger L14 led to the isolation of previously undiscovered bioactive cyclolipopeptides in the wild-type strain. Gene expression of polyketide synthase-nonribosomal peptide synthetase (PKS/NRPS) hybrids and amino acid metabolism had been greatly enhanced in the mutant L14-OE::LaeA2, demonstrating overexpression of LaeA is an effective approach to awaken cryptic biosynthetic gene clusters (BGCs) for production of cyclolipopeptides.\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture>\u0000 </div>\u0000 </figure>\u0000 ","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":"22 2","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cbdv.202570202","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143404546","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

Front Cover: Screening for Anti-Aβ Aggregation Activity of Marine Fungal Natural Products Based on a Gold Nanoparticle Method (Chem. Biodiversity 2/2025)

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-02-14 DOI: 10.1002/cbdv.202570201

Xingyuan Wang, Longjian Zhou, Yayue Liu, Fangfang Ban, Zhiyou Yang, Yongping Zhang, Xueqiong Hu, Yi Zhang

引用次数: 0

Anti-Alzheimer, Antiglaucoma, and Antidiabetic Activities of Sainfoin (Onobrychis buhseana Boiss.).

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-02-13 DOI: 10.1002/cbdv.202402013

Tuba Aydin, Shahla Jafarova, Javanshir Isayev, Ruya Saglamtas, Fevzi Ozgokce, Cavit Kazaz, Ahmet Cakir

引用次数: 0

Wheat Germ Peptide Ameliorates Hyperglycemia and Hyperlipidemia in Diabetic Rats through Modulation of SOCS3/IRS1/AKT and Lipid Metabolism Pathways.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-02-13 DOI: 10.1002/cbdv.202402446

Haizhao Song, Jing Lu, Yu Zhang, Xinchun Shen

{"title":"Wheat Germ Peptide Ameliorates Hyperglycemia and Hyperlipidemia in Diabetic Rats through Modulation of SOCS3/IRS1/AKT and Lipid Metabolism Pathways.","authors":"Haizhao Song, Jing Lu, Yu Zhang, Xinchun Shen","doi":"10.1002/cbdv.202402446","DOIUrl":"https://doi.org/10.1002/cbdv.202402446","url":null,"abstract":"Type 2 diabetes mellitus (T2DM) is characterized by impaired glucose and lipid metabolism and remains a global health challenge due to limitations in current treatments. This study evaluated the effects of wheat germ peptide (WGP) on metabolic regulation and its underlying mechanisms in a T2DM rat model induced by a high-fat diet and streptozotocin. Post-WGP treatment, glucose consumption, glycogen content, hexokinase (HK) and pyruvate kinase (PK) activities, and lipid profiles were measured. Protein expression levels of SOCS3, IRS1, phosphorylated IRS1 (p-IRS1), Akt, phosphorylated Akt (p-Akt), GLUT2, GSK-3β, phosphorylated GSK-3β (p-GSK-3β), FOXO1, G6Pase, PEPCK, PPARα, SREBP1, ACC, phosphorylated ACC (p-ACC), and FAS were examined via Western blot analysis. Results demonstrated that WGP treatment significantly lowered plasma glucose, insulin levels, and the HOMA-IR index, while enhancing glucose consumption, glycogen synthesis, and activities of HK and PK. Furthermore, WGP alleviated hyperlipidemia. Western blot results showed reduced expression levels of SOCS3, FOXO1, PEPCK, G6Pase, and the p-IRS1/IRS1 ratio, alongside increased expression of GLUT2, p-Akt/Akt, and p-GSK-3β/GSK-3β ratios. WGP also elevated PPARα and p-ACC/ACC ratios while reducing SREBP1 and FAS expression levels. In conclusion, WGP enhances glucose metabolism via the SOCS3/IRS1/AKT signaling pathway and ameliorates hyperlipidemia by modulating lipid metabolism in diabetic rats.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202402446"},"PeriodicalIF":2.3,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143406017","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

Benzothiazole Derived Ether Hybrids as Potent Anti-Thymidine Phosphorylase Agents: Synthesis, In Vitro and Computational Investigations.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-02-13 DOI: 10.1002/cbdv.202403385

Muhammad Usman, Aftab Alam, Zainab Zainab, Majid Khan, Burak Tüzün, Muhammad Ayaz, Mohammed M Alanazi, Abdul Latif, Syed Adnan Ali Shah, Humaira Hussain, Mumtaz Ali, Manzoor Ahmad

{"title":"Benzothiazole Derived Ether Hybrids as Potent Anti-Thymidine Phosphorylase Agents: Synthesis, In Vitro and Computational Investigations.","authors":"Muhammad Usman, Aftab Alam, Zainab Zainab, Majid Khan, Burak Tüzün, Muhammad Ayaz, Mohammed M Alanazi, Abdul Latif, Syed Adnan Ali Shah, Humaira Hussain, Mumtaz Ali, Manzoor Ahmad","doi":"10.1002/cbdv.202403385","DOIUrl":"https://doi.org/10.1002/cbdv.202403385","url":null,"abstract":"This work is based on the synthesis of new ether derivatives bearing benzothiazole scaffold through multi-step reaction process. Initially, benzothiazole was prepared by refluxing 4-hydroxybenzaldehyde with amino thiophenol having sodium metabisulfite in DMF; subsequently the product was further refluxed with different substituted benzyl and alkyl bromide in acetone to get ether hybrids of benzothiazole in good yields. Structurally, these compounds were confirmed by means of 1H, 13C-NMR and mass spectrometry and evaluated for in vitro thymidine phosphorylase inhibitory activity. In the series, seven compounds attributed excellent inhibition against thymidine phosphorylase enzyme better than the standard. Similarly, three compounds showed good activity while two compounds were found inactive. Moreover, all these compounds showed no toxicity to normal human fibroblast cell line (BJ Cell Line). In addition, Gaussian calculations were performed on the 6-31++g(d,p) basis set to examine the 13 synthesized compounds at the B3LYP, HF, and M062X levels. Additionally, molecular docking calculations were performed on thymidine phosphorylase enzyme proteins (PDB IDs: 4EAD, 2WK6, and 4LHM), and ADME/T calculations were performed to investigate the effects and responses of these compounds in human metabolism.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202403385"},"PeriodicalIF":2.3,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143406016","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

Origanum Essential Oil and Antifungal Activity: A Systematic Review.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-02-13 DOI: 10.1002/cbdv.202402296

Leticia Mezzomo, Juliana Butzge, Mariana Fiorio, Caroline Bastian, Adelina Mezzari, Alexandre Fuentefria, Miriam Anders Apel

{"title":"Origanum Essential Oil and Antifungal Activity: A Systematic Review.","authors":"Leticia Mezzomo, Juliana Butzge, Mariana Fiorio, Caroline Bastian, Adelina Mezzari, Alexandre Fuentefria, Miriam Anders Apel","doi":"10.1002/cbdv.202402296","DOIUrl":"https://doi.org/10.1002/cbdv.202402296","url":null,"abstract":"Fungi are pathogens that affect humans, animals, food and plants. Many strains are resistant to currently available antifungals, which are also associated with high toxicity and can cause environmental pollution. Treatments are lengthy with low adherence rates. Given plant´s historical use in disease treatment, natural products, such as essential oils,have been studied and developed for fungal infection treatment. Therefore, the aim of this study was to conduct a systematic literature review on Origanum species commercialized in Brazil: Origanum compactum, O. minutiflorum, O. syriacum, and O. vulgare, focusing on the chemical composition of their oils and their antifungal activity. A systematic literature review was conducted following PRISMA guidelines, using the databases ScienceDirect, Scielo, PubMed, Scopus, and Web of Science. O. vulgare presented the highest number of articles, and O. compactum showed the best results in terms of MIC and against the evaluated fungal species. Candida spp., Aspergillus spp., and Penicillium spp. were the most studied fungi. Carvacrol, thymol, p-cymene, o-cymene, and γ-terpinene are key constituents linked to their antifungal effects. The findings of this review highlight the chemical diversity of the studied genera and underscore the potential of Origanum spp.essential oils as antifungal agents against a variety of fungi.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202402296"},"PeriodicalIF":2.3,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143413569","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

Integrated Computational Approach for Designing Potent EGFR-TK Inhibitors: QSAR, Docking, ADMET and Molecular Dynamics Studies.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-02-12 DOI: 10.1002/cbdv.202403150

Shital Patil, Kalyani Asgaonkar, Shashikant Bhandari, Aishwarya M Edake, Harun Patel, Bhatu Patil, Iqrar Ansari, Indrani Mahadik, Omkar Kamble, Navnath Gavande

{"title":"Integrated Computational Approach for Designing Potent EGFR-TK Inhibitors: QSAR, Docking, ADMET and Molecular Dynamics Studies.","authors":"Shital Patil, Kalyani Asgaonkar, Shashikant Bhandari, Aishwarya M Edake, Harun Patel, Bhatu Patil, Iqrar Ansari, Indrani Mahadik, Omkar Kamble, Navnath Gavande","doi":"10.1002/cbdv.202403150","DOIUrl":"https://doi.org/10.1002/cbdv.202403150","url":null,"abstract":"Background: The epidermal growth factor receptor (EGFR) regulates cell survival and proliferation, making it a key therapeutic target in cancer. EGFR tyrosine kinase inhibitors (TKIs) block EGFR signaling, preventing uncontrolled cell growth. However, current EGFR-TKIs face resistance and toxicity issues, necessitating optimized pharmacophores and novel chemical entities (NCEs).Objectives: This study aimed to develop a 3D quantitative structure-activity relationship (QSAR) model for pharmacophore optimization and to design NCEs with improved properties. Additionally, ADMET profiling, molecular docking, and molecular dynamics simulations were performed for the NCEs.Methods: Using Schrödinger's Maestro v13.4, QSAR models were built with 42 thiazolyl-pyrazoline derivatives, yielding a significant model (R² = 0.7880, Q² = 0.7341). Forty NCEs with favorable drug-like properties were selected. The QikProp module assessed ADMET, while Desmond facilitated 100 ns molecular dynamics simulations.Results: NCE 2 emerged as the top candidate with a docking score of -8.178 kcal/mol, showing strong interaction with Leu 788 in the EGFR binding site. Molecular simulations confirmed the stability of the NCE 2-EGFR complex, with RMSD values between 2.4 and 2.8 Å.Conclusion: NCE 2, a novel thiazolyl-pyrazoline derivative, demonstrated significant EGFR inhibitory activity, stability, and favorable ADMET properties, making it a promising candidate for further development.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202403150"},"PeriodicalIF":2.3,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143398490","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

Analgesic and Anti-inflammatory Effects of Free and Nanoencapsulated Green Propolis Extract from the Northeastern Brazilian Caatinga Biome.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-02-11 DOI: 10.1002/cbdv.202402896

Jennyfer Andrea Aldana-Mejía, Marina Rezende Granzoto, Eveline Maria de Melo, Victor Pena Ribeiro, Samir A Ross, Priscyla D Marcato, Ricardo Andrade Furtado, Jairo Bastos

{"title":"Analgesic and Anti-inflammatory Effects of Free and Nanoencapsulated Green Propolis Extract from the Northeastern Brazilian Caatinga Biome.","authors":"Jennyfer Andrea Aldana-Mejía, Marina Rezende Granzoto, Eveline Maria de Melo, Victor Pena Ribeiro, Samir A Ross, Priscyla D Marcato, Ricardo Andrade Furtado, Jairo Bastos","doi":"10.1002/cbdv.202402896","DOIUrl":"https://doi.org/10.1002/cbdv.202402896","url":null,"abstract":"The Brazilian Caatinga green propolis (GP) is known for its significant biological activities; however, its incorporation into pharmaceutical formulations is hindered by its resinous nature and low solubility. This study investigates the analgesic and anti-inflammatory effects of both free GP and nanoencapsulated GP (GPN). The optimized oil/water nanoformulation maintained stability over a period of 28 days, exhibiting minimal alterations in particle size (approximately 200 nm) and polydispersity index. GPN demonstrated notable inhibition of nociception at a concentration of 27 mg/mL in mice during the formalin test. In the thermal stimulus test, GP exhibited significant analgesic effects at 9 and 60 mg/kg in phase I, while GPN achieved this effect at 9 mg/kg. In phase II, GP at 90 mg/kg showed analgesic effects in response to thermal stimuli. GPN also reduced edema from the third hour onward at 9 mg/kg, matching the effects of higher GP concentrations (90 mg/kg). These findings underscore the enhanced efficacy of GPN. Although this preliminary formulation requires further optimization, it demonstrated promising biological activity in the evaluated assays.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202402896"},"PeriodicalIF":2.3,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143398485","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

Urticalean rosids clade (Rosales): deciphering the riddle from a chemical point of view.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-02-11 DOI: 10.1002/cbdv.202402923

Jéssica da Silva Maciel, Adriana Lima de Sousa, Carolina Chaves Ramos, Rodrigo Barbosa Braga Feitoza, Rodrigo Rodrigues de Oliveira

{"title":"Urticalean rosids clade (Rosales): deciphering the riddle from a chemical point of view.","authors":"Jéssica da Silva Maciel, Adriana Lima de Sousa, Carolina Chaves Ramos, Rodrigo Barbosa Braga Feitoza, Rodrigo Rodrigues de Oliveira","doi":"10.1002/cbdv.202402923","DOIUrl":"https://doi.org/10.1002/cbdv.202402923","url":null,"abstract":"Cannabaceae, Moraceae, Ulmaceae and Urticaceae are members of the urticalean rosids clade (Rosales). Their infrafamilial and infrageneric relationships remain poorly understood. The aim of this study was to assess chemical similarities and differences between families of the urticalean rosids clade based on aromatic phenolic compounds. Analysis of the structural variability of these compounds may help to understand the taxonomic relationships of the clade. Data on the occurrence and type of aromatic phenolic compounds were obtained from the Scifinder database. Parameters of phenolic protection, oxidation, and skeletal specialisation were calculated. Multivariate statistical analyses were performed. Flavones and flavonols were found to be chemosystematic markers of the clade. Moraceae showed aromatic phenolic compounds with more specialised skeletons, while Cannabaceae, Ulmaceae and Urticaceae showed regular skeletons. Phenolic protection mechanisms are more specialised in Moraceae (O-prenylation and O-methylation), while O-glycosylation predominated in the other families. Distinct evolutionary trends in structural types and oxidation patterns distinguish Moraceae, suggesting metabolic differences within the clade.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202402923"},"PeriodicalIF":2.3,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143398491","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