Esma Bilajac, Una Glamočlija, Lejla Mahmutović, Abas Sezer, Elma Veljović, Selma Špirtović-Halilović, Mirsada Salihović, Mirha Pazalja, Altijana Hromić-Jahjefendić, Amar Osmanović
{"title":"Targeting Lymphoma With Benzoxazole Derivatives: Effects on Viability and Protein Expression in Cell Lines.","authors":"Esma Bilajac, Una Glamočlija, Lejla Mahmutović, Abas Sezer, Elma Veljović, Selma Špirtović-Halilović, Mirsada Salihović, Mirha Pazalja, Altijana Hromić-Jahjefendić, Amar Osmanović","doi":"10.1002/cbdv.202402853","DOIUrl":"https://doi.org/10.1002/cbdv.202402853","url":null,"abstract":"<p><p>Benzoxazoles possess a wide range of therapeutic activities, including antimicrobial, antitumor, anti-inflammatory, and other. Using in silico and in vitro approaches, we determined the potential antitumor activity of benzoxazoles synthesized from thymoquinone in diffuse large B-cell lymphoma (DLBCL) cells. Molecular docking analysis showed strong binding affinities of benzoxazoles toward Akt and nuclear factor kappa B (NF-κB) protein targets that promote cancer cell proliferation and survival and whose expression is linked to tumorigenesis of activated B-cell (ABC) and germinal center B-cell (GCB) DLBCL subtypes. WST-8 assay showed the highest inhibitory activity of benzoxazole derivative bearing thiophene substituent in both DLBCL models. Western blot analysis indicated the inhibitory activity of selected compounds in HBL-1 cells, with decreased p-NF-κB and p-Akt protein expression, whereas treatment of DHL-4 cells stimulated the expression of p-Akt and p-NF-κB protein levels. These data suggest distinct, cell line-dependent activities of the substances that potentially act through diverse oncogenic signaling pathways in DLBCL cells and activation of compensatory cell mechanisms that could be an important step for combinatorial treatment approaches.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e02853"},"PeriodicalIF":2.3,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144157095","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}
Suprapaneni Sirisha, Nagaraju Kerru, Ramakrishna Rao Bhonsle, Suresh Maddila, Baji Baba Shaik, Sreekantha B Jonnalagadda
{"title":"Design, Synthesis and Alpha-glucosidase Inhibitory Effect of Pyrazole-1,2,3-Triazole Hybrids.","authors":"Suprapaneni Sirisha, Nagaraju Kerru, Ramakrishna Rao Bhonsle, Suresh Maddila, Baji Baba Shaik, Sreekantha B Jonnalagadda","doi":"10.1002/cbdv.202500040","DOIUrl":"https://doi.org/10.1002/cbdv.202500040","url":null,"abstract":"<p><p>A novel pyrazole-1,2,3-triazole hybrids were developed and evaluated for its glucosidase inhibitory effects. The targeted 1,2,3-triazole hybrids were obtained from the copper-catalyzed reaction between azide and pyrazole alkyne in dichloromethane at room temperature. Compounds with 4-nitro and 4-chloro groups, respectively, proved the most significant, promising α-glucosidase inhibition activity with IC<sub>50</sub> values of 3.35 and 6.58 µM, related to the cited inhibitor, acarbose (IC<sub>50</sub> = 3.86 µM). Further, molecular docking studies of the most active compounds were carried out, and the results demonstrated considerable binding modes in the active site of the human lysosomal acid-alpha-glucosidase enzyme. In addition, the density functional theory was carried out to predict the electronic properties of active ligands. Structure-activity relationship analysis implied that the electron-leaving functions at the para position account for the variable enzyme inhibition. Therefore, developing novel therapeutic agents may assist as structural models in exploring diabetes mellitus.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e00040"},"PeriodicalIF":2.3,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144157060","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":"Botanical Origin of Honey: Implications for Mineral Composition and Potential Toxic Element Safety.","authors":"Duygu Nur Çobanoğlu, İlginç Kızılpınar Temizer, İkranur Felek, Abdurrahman Şimşek, Onur Dündar","doi":"10.1002/cbdv.202500318","DOIUrl":"https://doi.org/10.1002/cbdv.202500318","url":null,"abstract":"<p><p>This study aimed to identify the relationships between botanical origins, physicochemical properties, and the mineral composition of honey, as well as to determine its potentially toxic element content. It also sought to investigate whether the types and amounts of these elements have any long-term adverse effects on human health. The results of the melissopalynological analysis indicated that the pollen grains most frequently identified in honey samples belonged to the families Fabaceae, Asteraceae, and Lamiaceae. In addition, unifloral honey samples were found to be derived from Castanea sativa, Paliurus spina-christi, Citrus sp., and Erica sp., while the other samples were classified as polyfloral. Color values (L*, a*, and b*), electrical conductivity, and ash content showed variations according to the botanical sources. Polyfloral honeys exhibited higher levels of K, Mg, Al, Mn than unifloral honeys, highlighting their diverse plant origins. Nutritional and safety assessments, including EDI, THQ, and SHI values, confirmed that all honey samples were within safe limits when consumed 20 g for adults (men and women), 10 g for children daily, for potentially toxic elements, ensuring their safety for consumption.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e00318"},"PeriodicalIF":2.3,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144157056","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}
Shi-Xing Liu, Qian Wang, Li Jiang, Shang-Gao Liao, Qing-De Long, Xu Zhang, Xue-Long Yan
{"title":"Eupholine A and B, A Pair of Lathyrane Epimers with Inhibitory Activity of Fibrinogen from Euphorbia helioscopia L.","authors":"Shi-Xing Liu, Qian Wang, Li Jiang, Shang-Gao Liao, Qing-De Long, Xu Zhang, Xue-Long Yan","doi":"10.1002/cbdv.202500736","DOIUrl":"https://doi.org/10.1002/cbdv.202500736","url":null,"abstract":"<p><p>Phytochemistry investigation of Euphorbia helioscopia led to the isolation of 22 diterpenoids, including five lathyranes, 11 jatrophanes, and six other types. Among them, eupholine A and B (1 and 2) are a pair of previously undescribed C-6' lathyrane epimers. The chemical structures of 1-22 were elucidated using spectral data analysis, and the absolute configurations of 1 together with another jatrophane diterpenoid (3) were determined by X-ray single-crystal diffraction techniques. Besides, the full nuclear magnetic resonance (NMR) assignments of 3 and 4 were first determined by analysis of their two-dimensional NMR data. All the isolates were screened for inhibition activity of fibrinogen on transforming growth factor-β1-stimulated LX-2 cells, and seven compounds (mainly lathyranes and jatrophanes types) showed certain inhibitory effects at 20 µM, being comparable to that of the positive control, silymarin. Notably, compound 14 (jatrophane type) showed significant inhibitory activity that is superior to silymarin. The study suggested that jatrophane diterpenoids and their analogs (lathyrane types) may serve as a potential chemical entity against liver fibrosis.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e00736"},"PeriodicalIF":2.3,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144157083","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":"Phytochemical Composition and Inhibitory Effects of Curcuma angustifolia Leaves Extracts Against α-Amylase and α-Glucosidase Enzymes Associated With Hyperglycaemia: In Vitro and In Silico Analysis.","authors":"P Kavya, M Gayathri","doi":"10.1002/cbdv.202500173","DOIUrl":"https://doi.org/10.1002/cbdv.202500173","url":null,"abstract":"<p><p>Curcuma angustifolia Roxb. is a plant known for its therapeutic properties and has been employed conventionally to treat various ailments. The current research aimed to determine the phytochemical compounds and to explore the antihyperglycemic effects of C. angustifolia leaves through in vitro and in silico methods. The phytochemicals in the methanolic extract of leaves of C. angustifolia were detected using Fourier-transform infrared, gas chromatography-mass spectrometry and liquid chromatography-mass spectrometry techniques. The antihyperglycemic potential of the different solvent extracts was evaluated using in vitro assays. The methanolic extract demonstrated comparatively higher inhibitory effects on both α-amylase and α-glucosidase enzymes, with the effects varying according to the concentration, and the half maximal inhibitory concentration values were 592.57 ± 0.64 and 267.11 ± 0.82 µg/ml, respectively. 2-p-Nitrophenyl-oxadiazol-1,3,4-one-5 was identified as a potential compound that could exhibit antihyperglycemic effects via molecular docking. 2-p-Nitrophenyl-oxadiazol-1,3,4-one-5 was found to have optimal physicochemical characteristics needed for drug-likeness based on in silico absorption, distribution, metabolism, excretion, and toxicity assessment. The prediction of activity spectra for substances prediction findings suggested that 2-p-nitrophenyl-oxadiazol-1,3,4-one-5 displays potent anti-diabetic activity, which aligns with the docking results. The findings suggested that the methanol extract of the leaves of C. angustifolia exhibits notable antihyperglycemic properties. Therefore, it could also be investigated to purify the active compound with antihyperglycemic effects.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e00173"},"PeriodicalIF":2.3,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144157088","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":"Harnessing the Potential of Pheophorbides in Photodynamic Therapy: Natural Origins, Semi-Synthetic Advances, and Future Directions.","authors":"Venkata Gopal Ede, Abhijeet S Kate","doi":"10.1002/cbdv.202500146","DOIUrl":"https://doi.org/10.1002/cbdv.202500146","url":null,"abstract":"<p><p>Photodynamic therapy (PDT) is a distinctive cancer treatment strategy that provides high specificity and minimal systemic toxicity. It involves the use of photosensitizers (PSs), which are activated by light to induce localized cell death through reactive oxygen species (ROS)-mediated oxidative damage. First-generation PSs, such as hematoporphyrin derivatives, demonstrated limited efficacy. Second-generation PSs, including both porphyrin-based and non-porphyrin-based compounds, have overcome some of these limitations but continue to face challenges such as poor water solubility and limited specificity. Naturally derived chlorin-based molecules referred to as pheophorbides and their semi-synthetic analogs hold significant potential as a PS for PDT. This review examines the physicochemical properties, structural diversity, and structure-activity relationships of pheophorbides derived from plant, marine, and microbial sources. It also highlights their distinctive nuclear magnetic resonance (NMR) signals, which could be useful in the identification of new pheophorbides. Focusing on future directions, the report emphasizes the potential of bacteriopheophorbides to address current limitations in PDT, offering innovative, nature-inspired approaches to cancer treatment.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e00146"},"PeriodicalIF":2.3,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144157072","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":"Molecular Targets and Mechanisms of Piperine Against Breast Cancer: A Network Pharmacology, Molecular Docking Analysis, and Toxicity Prediction.","authors":"Santosh Prasad Chaudhary Kurmi, Dipanjan Karati","doi":"10.1002/cbdv.202403180","DOIUrl":"https://doi.org/10.1002/cbdv.202403180","url":null,"abstract":"<p><p>Breast cancer is still one of the major causes of cancer-related death worldwide, which highlights the need for cutting-edge therapeutic strategies. An alkaloid called piperine, which comes from Piper longum, has demonstrated encouraging anticancer effects. Piperine modulates different cancer signaling pathways and enzymes such as P53, apoptosis, and cell cycle regulation. Protein function and signaling pathway enrichment studies were made easier using the DAVID Gene Ontology and Kyoto Encyclopedia of Genes and Genomes (KEGG) databases, while the SwissTarget Prediction database was used to identify the target genes for piperine. Using STRING, Cytoscape, and the CytoHubba degree approach, protein-protein interaction networks were investigated. Ninety-three possible piperine target sites in breast cancer were found, most of which were connected to important cancer pathways. The therapeutic effect of piperine was demonstrated by analysis of KEGG pathways, molecular functions, cellular components, and biological processes. Following the identification of the top ten hub gene targets, further molecular docking and dynamic simulations (iMODS server) were performed on SRC, HSP90AA1, MTOR, and MDM2 to evaluate binding affinity, flexibility, and stability. These results were confirmed by survival, correlation, and Humane FP analyses, highlighting the function of piperine in focusing on the genes responsible with pathogenic breast cancer. This thorough investigation opens the door for more research and clinical uses by demonstrating piperine's potential as a new therapeutic agent for the treatment of breast cancer.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e03180"},"PeriodicalIF":2.3,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144157077","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}
Ferhat Güneş, Uğur Güller, Pinar Güller, Bariş Anil, Mehmet Koca
{"title":"Synthesis and Carbonic Anhydrase Inhibition Profiles of N-(3-sulfamoylphenyl)propanamide/benzamide Derivatives: Experimental and Computational Insights With Absorption, Distribution, Metabolism, and Excretion Profiling.","authors":"Ferhat Güneş, Uğur Güller, Pinar Güller, Bariş Anil, Mehmet Koca","doi":"10.1002/cbdv.202403435","DOIUrl":"https://doi.org/10.1002/cbdv.202403435","url":null,"abstract":"<p><p>Carbonic anhydrases (CA) I and II are the most abundant CA isozymes in erythrocytes and have been therapeutic targets in treating glaucoma, hypertension, ulcers, osteoporosis, and, neurological disorders. In this study, N-(3-sulfamoylphenyl) propanamide/benzamide derivatives were synthesized. Then, the CA isozymes were isolated and the inhibitory effects of the synthesized derivatives on these enzymes were investigated experimentally. The mechanism of inhibition was estimated by molecular docking studies. Finally, the Absorption, Distribution, Metabolism, and Excretion properties of derivatives were evaluated and analyzed in terms of pharmacokinetics and drug similarity. P4 was the most effective inhibitor among derivatives against both hCA-I and hCA-II with K<sub>i</sub> constants as 0.22 ± 0.01 and 0.33 ± 0.05 µM, respectively. Besides, P4 had a higher binding affinity to both enzymes with free binding energies of -8.14 and -8.03 kcal/mol. According to drug-likeness analysis, it was predicted that the derivatives comply with Lipinski's rule of five without any deviation.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e03435"},"PeriodicalIF":2.3,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144157092","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}
Mujtaba Aamir Bhat, Awdhesh Kumar Mishra, Faizan A Magray, Saima Jan, Md Tabish Rehman, Mohamed F AlAjmi, Safikur Rahman, Shahnawaz Ahmad Wani, Arif Tasleem Jan
{"title":"Comprehensive Evaluation of the Bioactives of Elaeagnus umbellata for Their Antidiabetic Potential Using In Vitro and In Silico Approaches.","authors":"Mujtaba Aamir Bhat, Awdhesh Kumar Mishra, Faizan A Magray, Saima Jan, Md Tabish Rehman, Mohamed F AlAjmi, Safikur Rahman, Shahnawaz Ahmad Wani, Arif Tasleem Jan","doi":"10.1002/cbdv.202500610","DOIUrl":"https://doi.org/10.1002/cbdv.202500610","url":null,"abstract":"<p><p>Elaeagnus umbellata is known for its medicinal properties, including its ability to promote wound healing and exhibit antidiabetic and anti-inflammatory properties. In the present study, methanolic leaf and bark extract (MLE and MBE) of E. umbellata was tested for total phenol and flavonoid content and evaluated for antioxidant activity. FTIR and GC-MS analysis were followed by an in silico study of bioactive constituents for their role in inhibiting advanced glycation end-products (RAGEs) and glucagon-like peptide-1 (GLP1) receptors. Both extracts demonstrated significant antioxidant activity, with MLE showing stronger activity than MBE. The FTIR spectra for functional groups confirmed a diverse range of metabolites. The GC-MS analysis showed 41 bioactive compounds exhibiting antioxidant, anti-inflammatory, and antidiabetic activities. The docking analysis of selected compounds with RAGE and GLP1 receptors revealed variations in binding affinities, pKi values, and ligand efficiencies. E. umbellata contains a significant amount of phytochemicals exhibiting strong antioxidant activity. The activity of phenols and flavonoids suggests that they can be used as a source of natural antioxidants. Molecular docking analysis indicates that various compounds have the potential to act as effective inhibitors of RAGE and GLP, thereby modulating proinflammatory responses and mitigating oxidative damage in the cellular pathways.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e00610"},"PeriodicalIF":2.3,"publicationDate":"2025-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144149493","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}
Bo Hu, Qing Xia, Yu-Ping Zhu, Yun Zhang, Bing-Hua Jiao, Jun Xu, Hao-Bing Yu
{"title":"Phyllofolactones V-X, Bishomoscalaranes With Proangiogenic and Hypolipidemic Activities From Sponge Phyllospongia foliascens.","authors":"Bo Hu, Qing Xia, Yu-Ping Zhu, Yun Zhang, Bing-Hua Jiao, Jun Xu, Hao-Bing Yu","doi":"10.1002/cbdv.202500850","DOIUrl":"https://doi.org/10.1002/cbdv.202500850","url":null,"abstract":"<p><p>Chemical investigation of the marine sponge Phyllospongia foliascens led to the identification of three new bishomoscalaranes, phyllofolactones V-X (1-3), alongside three known analogs, phyllofolactones M (4) and O-P (5-6). The structures of these bishomoscalaranes were characterized through comprehensive spectroscopic and spectrometric analyses. The in vivo proangiogenic, hypolipidemic, and anti-heart failure effects, as well as the in vitro antimicrobial, cytotoxic, immunosuppressive, and antioxidant properties of these compounds were assessed. Compounds 3 and 4 displayed significant lipid-lowering effects at a concentration of 10 µM in the zebrafish model. Meanwhile, compounds 2 and 5 demonstrated strong proangiogenic activity in zebrafish at the identical concentration of 10 µM. Compound 4 exhibited radical-scavenging activity against both 2,2-diphenyl-1-picrylhydrazyl and 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium saltfree radicals, with IC<sub>50</sub> values of 17.27 and 18.90 µM, respectively.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e00850"},"PeriodicalIF":2.3,"publicationDate":"2025-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144149520","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}