Chemistry & Biodiversity最新文献

{"title":"Characterization of Phenolic and Flavonoid Compounds in Casuarina glauca Organs From Djerba (Tunisia): A Comparative HPLC-DAD Study of Extraction Techniques.","authors":"Nourhene Aroua, Maher Boukhris, Sirine Choura, Mohamed Chamkha, Ridha Ben Salem, Ghayth Rigane","doi":"10.1002/cbdv.202500618","DOIUrl":"https://doi.org/10.1002/cbdv.202500618","url":null,"abstract":"<p><p>The bioactive compounds of leaves, stems, fruits, and seeds of Casuarina glauca from Djerba, Tunisia, was investigated using maceration and ultrasound-assisted extraction (UAE) techniques. The aqueous extracts were analyzed through high-performance liquid chromatography coupled with a diode-array detector (HPLC-DAD) to identify and quantify bioactive compounds. A total of fifteen compounds were identified, including eight phenolic acids, six flavonoids, and one phenylethanoid glycoside. The HPLC-DAD analysis revealed that catechin was the most abundant compound, particularly in the leaf's extracts, with a concentration of 139.7 mg/mL. Significant variations were observed in the phenolic profiles depending on the extraction technique and the analyzed plant part. Total phenolic content (TPC) and total flavonoid content (TFC) were quantified, indicating that with the use of the UAE method, the leaves extract exhibited the highest level of TPC and TFC (17.53 mg GAE/g dry weight [DW] and 15.43 mg QE/g DW, respectively). Notably, the aqueous leaf extract obtained using UAE exhibited the highest antioxidant activity, as determined by 2,2-diphenyl-1-picrylhydrazyl (DPPH) and ferric-reducing antioxidant power (FRAP) assays. These results underscore the potential of C. glauca extracts from Tunisia for the first time as valuable sources of natural antioxidants, with promising applications in green pharmacy, complementary medicine, and preventive therapies.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e00618"},"PeriodicalIF":2.3,"publicationDate":"2025-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144246699","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}

{"title":"Insights Into Anticancer Mechanisms of Schisandrin B: Isolation, Pharmacokinetics, and Preclinical Evidence.","authors":"Ekta Yadav, Pankaj Kumar Yadav","doi":"10.1002/cbdv.202500424","DOIUrl":"https://doi.org/10.1002/cbdv.202500424","url":null,"abstract":"<p><p>Traditional medicinal systems in Asian countries revealed the utilization of plant-based compounds is as old as human civilization. Schisandrin B (SCB), an isolated lignan from the fruit of Schisandra chinensis, is extensively used against different diseases. The current review discusses collecting and representing up-to-date literature concerning the antitumor activity of SCB on molecular and cellular signaling pathways. Different facets of the anticancer activity of SCB, including cancer type, experimental designs, and proposed underlying mechanistic approach, have been analyzed and presented in this review. Antitumor mechanism of SCB is largely due to stimulation of apoptosis, inhibition of progression of the cell cycle, regulation of cell invasion and proliferation, management of oxidative stress via modulating PI3K/AKT/mTOR, Wnt/β-catenin, and STA3/JAK2 signaling pathways. Combining SCB with antitumor drugs has been reported to enhance the efficiency of conventional chemotherapeutics largely by accumulation of medication at the tumor site and demonstrated as a supportive adjunct therapy in the management of cancer. Oral administration of SCB shows limited bioavailability and extensive distribution in the ovary and adipose tissue. SCB exhibited a potent anticancer effect due to the multi-targeted mechanism of activity that encourages it as a prospective potential tool to raise an efficient and new therapeutic approach against cancer.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e00424"},"PeriodicalIF":2.3,"publicationDate":"2025-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144246703","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}

{"title":"Metronidazole-An Old Drug for Structure Optimization and Repurposing.","authors":"Vasanti Suvarna, Manikanta Murahari, Shrutee Pawar","doi":"10.1002/cbdv.202403389","DOIUrl":"https://doi.org/10.1002/cbdv.202403389","url":null,"abstract":"<p><p>Metronidazole, a prodrug derived from the nitroimidazole class, continues to serve as a key antimicrobial agent for managing infections caused by anaerobic bacteria, microaerophilic organisms, and protozoan parasites. Its therapeutic activity is primarily exerted under low-oxygen conditions, wherein the nitro functional group undergoes enzymatic reduction, leading to the cleavage of the imidazole ring and the generation of cytotoxic intermediates. Despite its effectiveness, the increasing prevalence of antimicrobial resistance has prompted the design of new metronidazole analogs, including ruthenium-based compounds and Schiff base derivatives. These next-generation agents exhibit broader antimicrobial coverage, alternative mechanisms of action, reduced cytotoxicity, improved efficacy against resistant strains, and potential applications beyond traditional infectious disease contexts. This review provides an in-depth analysis of metronidazole's clinical relevance, emphasizing the relationship between metabolite structure and cytotoxic effects in both human and rodent models. Additionally, it highlights recent advances in the synthesis of metronidazole derivatives and evaluates their comparative therapeutic benefits relative to the original compound.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e03389"},"PeriodicalIF":2.3,"publicationDate":"2025-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144246704","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}

{"title":"An Evaluation of the Toxic Norditerpenoid Alkaloid Content Across Delphinium Species, and Their Acute Toxicities in a Murine Model.","authors":"Kevin D Welch, Dale R Gardner, Daniel Cook, Stephen T Lee, Clint A Stonecipher, Benedict T Green","doi":"10.1002/cbdv.202500779","DOIUrl":"https://doi.org/10.1002/cbdv.202500779","url":null,"abstract":"<p><p>Larkspurs (Delphinium spp.) are one of the most problematic plants for cattle producers in North America. Previous research has shown that there is a difference in the alkaloid composition between different species of larkspurs, and between different populations of the same species. Differences in the chemical profiles of the various larkspurs and their associated toxicities in rodent models and in cattle have been documented. However, different methods were used to analyze the plant material and to characterize its toxicity. In this study, plant material from 20 larkspur collections was extracted using the same method and analyzed using the same liquid chromatography-mass spectrometry method, and the acute toxicity of each extract was tested using a mouse median lethal dose assay with the same strain of mice purchased from one vendor. The results from this study demonstrate the large variations in alkaloid composition and concentrations between the various species and populations of larkspurs in the western USA. The data also demonstrate a strong correlation between the N-(methylsuccinimido) anthranoyllycoctonine alkaloid content of the plant and its toxicity in a mouse model. The results from this study provide a standardized comparison of the risk of some of the more common and problematic larkspurs in the western USA.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e00779"},"PeriodicalIF":2.3,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144246622","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}

{"title":"Identification and Field Testing of Female-produced Sex Pheromone Components of Dendrolimus suffuscus Subspecies Illustratus De Lajonquière, 1973.","authors":"Xiaoyuan Jing, Guoqiang Li, Caixia Jia, Rong Jin, Meng Wang, Ren Mu, Yuanxin Bai, Yujie Hao, Hongxia Liu","doi":"10.1002/cbdv.202500785","DOIUrl":"https://doi.org/10.1002/cbdv.202500785","url":null,"abstract":"<p><p>The pine caterpillar moth, Dendrolimus suffuscus subspecies Illustratus De Lajonquière, 1973 (Lepidoptera: Lasiocampidae), is the most important defoliator of oriental arborvitae in China. Outbreaks occur over enormous areas and often lead to the death of forests over two to three successive years of defoliation. Using gas chromatography and mass spectrometry, extracts of the female sex pheromone gland of D. suffuscus were found to contain four main chemicals: (Z,E)-5,7-dodecadienal (Z5,E7-12Ald), (Z)-5-dodecenol (Z5-12OH), (Z,E)-5,7-dodecadienyl acetate (Z5,E7-12Ac), and (Z,E)-5,7-dodecadien-1-yl propionate (Z5,E7-12OPr). Electroantennographic (EAG) analyses of these chemicals and their analogs showed that Z5-12Ald and Z5,E7-12Ald elicited the largest male EAG response, followed by Z5-12OH, Z5-12OAc, Z5,E7-12OH, and Z7-12OAc. Field trapping experiments showed that Z5,E7-12Ac were necessary to evoke the attraction of males. The highest number of caught males was achieved when Z5,E7-12Ac, Z5,E7-12Ald, and Z5-12OH were present in baits in the ratio of 5:1:1. Based on our results, the optimal blend of sex pheromone components of D. suffuscus subspecies Illustratus provides the means for detecting and monitoring this population.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e00785"},"PeriodicalIF":2.3,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144246702","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}

{"title":"Three New Meroterpenoids With Antimicrobial Activity Characterized From the Cold-seep-derived Alternaria alstroemeriae CS-745.","authors":"Guan-Hai Dong, Xiao-Ming Li, Bin-Gui Wang, Ling-Hong Meng","doi":"10.1002/cbdv.202501369","DOIUrl":"https://doi.org/10.1002/cbdv.202501369","url":null,"abstract":"<p><p>Three new meroterpenoids, tricycloalternarenes P and Z (1 and 2), and didehydrotricycloalternarene Z (3), together with nine known congeners (4-12), were obtained from the culture of Alternaria alstroemeriae, a fungus isolated from the sunken logs collected from the cold seep environment in the South China Sea. Their structures were determined by detailed interpretation of nuclear magnetic resonance (NMR) spectroscopy spectroscopic and mass spectrometric data. The relative configurations of compounds 1-3 were assigned by nuclear Overhauser effect spectroscopy correlations combined with gauge-independent atomic orbital NMR shift calculations and DP4+ probability analysis, while their absolute configurations were assigned by time-dependent density functional theory electronic circular dichroism calculations. The biological analysis results revealed that compounds 1-4, 7, and 9-11 showed antibacterial activities against Klebsiella pneumonia and methicillin-resistant Staphylococcus aureus with minimum inhibitory concentrations of 22.2-100 µM.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e01369"},"PeriodicalIF":2.3,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144246708","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}

{"title":"Anti-Inflammatory and Antioxidant Potential of Plant-Derived Phenolic Acids as Triple COX, LOX, and NOX Inhibitors: A Computational Approach.","authors":"Mithun Rudrapal, André M de Oliveira, Heitor Avelino de Abreu, Gourav Rakshit, Manish K Tripathi, Johra Khan","doi":"10.1002/cbdv.202403505","DOIUrl":"https://doi.org/10.1002/cbdv.202403505","url":null,"abstract":"<p><p>Natural products, particularly phenolic compounds, have demonstrated significant potential in addressing noncommunicable diseases due to their broad pharmacological activities and relatively low toxicity profiles. However, monotherapy is often insufficient in managing complex inflammatory responses. Therefore, simultaneous inhibition of multiple key enzymes involved in inflammation may offer enhanced therapeutic benefits. In alignment with this approach, the present study explores the triple inhibition potential of plant-derived phenolic acids targeting cyclooxygenase (COX), lipoxygenase (LOX), and NADPH oxidase (NOX) enzymes using a range of in silico tools and biophysical drug discovery techniques. The objective was to evaluate their capacity as potential anti-inflammatory agents through multi-target modulation. Among the screened compounds, ellagic acid and rosmarinic acid emerged as the most promising candidates, exhibiting strong inhibitory interactions with all three target enzymes. These findings were supported by an integrated suite of computational methods, including molecular docking, molecular dynamics simulations, molecular mechanics/generalized Born surface area (MM-GBSA) binding energy calculations, and density functional theory (DFT) analyses. Given the established anti-inflammatory potential of ellagic acid and rosmarinic acid, this study lays a strong foundation for further experimental validation and future development of effective multi-target anti-inflammatory therapeutics.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e03505"},"PeriodicalIF":2.3,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144246624","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}

{"title":"Chemical Composition and Antimicrobial Activity of Hesperis isatidea (Boiss.) D.A.German & Al-Shehbaz Essential Oil.","authors":"Sefa Gözcü, Zeynep Akşit, Samed Şimşek, Hüseyin Akşit","doi":"10.1002/cbdv.202500455","DOIUrl":"https://doi.org/10.1002/cbdv.202500455","url":null,"abstract":"<p><p>The essential oils of aerial parts of Hesperis isatidea were analyzed using gas chromatography-mass spectrometry for the first time in the present study. The major components were determined as benzyl salicylate (13.40%), phytol (9.66%), benzyl benzoate (8.57%), undecanal (8.45%), and linalool (5.71%). The essential oil exhibited notable antibacterial activity against Clostridium perfringens, with a minimum inhibitory concentration (MIC) of 125 µg/mL, and Escherichia coli, with an MIC of 62.5 µg/mL. However, it showed limited effectiveness against Staphylococcus aureus and Listeria monocytogenes, both with an MIC of 250 µg/mL, and no antibacterial activity against Enterococcus faecalis and Bacillus cereus. The results demonstrate that the essential oil possesses selective antibacterial properties, especially against specific Gram-negative bacteria, indicating its potential as a valuable complementary antimicrobial agent.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e00455"},"PeriodicalIF":2.3,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144246700","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}

{"title":"Factors Impacting the Gastrointestinal Digestive Enzymes Fate of Magnesium Oxide Clusters: In Silico Characterization.","authors":"Ghulam Haydar, Ataf Ali Altaf, Aqsa Iqbal, Uzma Hashmat, Samia Kausar","doi":"10.1002/cbdv.202500157","DOIUrl":"https://doi.org/10.1002/cbdv.202500157","url":null,"abstract":"<p><p>Recently, metal oxide cluster dots have moved into medicinal and biological contemplations. Digestive system comprises different pH levels that may facilitate the formation of metal oxide clusters hypothetically. Those clusters may further interact with digestive system enzymes and generate metal cluster-enzyme protein complexes. The present study investigated the profiles of such 50 complexes using molecular docking techniques. A total of five magnesium oxide clusters-Mg₄O₄, Mg₅O₅, Mg₆O₆, Mg₇O₇, and Mg₈O₈-were designed, optimized, and docked with 10 human digestive system-related metalloenzymes (3P95, 4A94, 2V77, 2JBK, 1PJP, 1N1M, 1X0V, 1BSI, 1C8Q, 1ZLI). The complexes were produced using molecular docking simulations. The results revealed that the magnesium oxide cluster dots (MgO-CDs) show nonbonding interactions with different enzymes. The binding affinities of MgO clusters with enzymes ranged from -8.8 to -2.9 kcal/mol. The carboxypeptidase B (Protein Data Bank [PDB] ID: 1ZLI) and Mg₈O₈ exhibited most significant interactions with -8.8 kcal/mol and Ki 0.35 µM. Such interactions are helpful to understand the carboxypeptidase B (IZLI) enzymatic activity in hypermagnesemia symptoms, which leads to build up of non-degraded proteins.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e00157"},"PeriodicalIF":2.3,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144246701","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}

{"title":"Pyridine Thiosemicarbazones as Anticancer and Antimicrobial Agents: A Promising Class of Low-Toxicity Therapeutics.","authors":"Navnath Ramdas Zaware, Ramakant Asaram Kardile, Sangeeta Vijay Jagtap","doi":"10.1002/cbdv.202500202","DOIUrl":"https://doi.org/10.1002/cbdv.202500202","url":null,"abstract":"<p><p>In vitro anticancer and antimicrobial activities of 24 pyridine thiosemicarbazone (PTSC) derivatives (3a-3x), synthesized via a two-step process starting from hydrazine hydrate and carbon disulfide, have demonstrated promising results. Five compounds 3 g, 3 h, 3v, 3w, and 3x exhibited significant anticancer activity at a concentration of 10 µM against several cancer cell lines, including leukemia (CCRF-CEM and MOLT-4), melanoma (SK-MEL-2 and SK-MEL-5), and breast cancer (MDA-MB-468), with growth percentage values ranging from -11.61% to -75.49%. Among these, compound 3w displayed exceptional anticancer efficacy against the renal cancer cell line UO-31, with a GI₅₀ value of 0.57 µM, while showing no cytotoxicity toward normal cells (lethal concentration 50% > 100 µM). Further in vitro evaluations using ovarian (IGROV1), colon (HCC-2998), and melanoma (MALME-3 M) cancer cell lines revealed that compounds 3 g, 3 h, and 3w exhibited GI₅₀ values ranging from 2.00 to 4.89 µM, supporting their cytotoxic potential. Notably, compounds 3 g, 3 h, 3w, and 3x were found to be more potent than the reference drug, Sunitinib. These findings highlight the therapeutic potential of PTSC derivatives and underscore their promise as lead compounds in anticancer drug development. Additionally, all PTSC derivatives were evaluated for antimicrobial efficacy against five different Gram-positive and Gram-negative bacterial strains and two fungal pathogens at a concentration of 32 µg/mL. Among them, compound 3q exhibited the highest growth inhibition (GI) of 97.63% against Acinetobacter baumannii, without exhibiting any toxicity toward human embryonic kidney (HEK-293) cells and human red blood cells at concentrations ranging from 32 to 0.25 µg/mL. Furthermore, compounds 3o, 3k, and 3x demonstrated in vitro GI percentages of 53.24%, 77.67%, and 95.77%, respectively, against Candida albicans. These results support the potential of PTSC derivatives as multifunctional therapeutic agents with both anticancer and antimicrobial properties.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e00202"},"PeriodicalIF":2.3,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144233348","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}