Chemistry & Biodiversity最新文献_第9页

Pyrazolopyrimidines: A Promising Frontier in Cancer Treatment-Reviewing Their Potential as Inhibitors of Serine/Threonine Kinases.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-03-10 DOI: 10.1002/cbdv.202403071

Ahmed M Abdelhamed, Amira A Helwa, Hanan H Kadry, Rasha A Hassan

引用次数: 0

Optimization of supercritical extraction process, compositional analysis and anti-inflammatory and analgesic effects of Zanthoxylum schinifolium essential oil.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-03-10 DOI: 10.1002/cbdv.202403306

Youfeng Wang, Changyan Xu, Xirong Luo, Hong Wu, Juan Yang, Yanfang Yan, Mei Peng, Tingfei Deng, Xiaosheng Yang, Zhongsheng Luo, Ronggui Qin

{"title":"Optimization of supercritical extraction process, compositional analysis and anti-inflammatory and analgesic effects of Zanthoxylum schinifolium essential oil.","authors":"Youfeng Wang, Changyan Xu, Xirong Luo, Hong Wu, Juan Yang, Yanfang Yan, Mei Peng, Tingfei Deng, Xiaosheng Yang, Zhongsheng Luo, Ronggui Qin","doi":"10.1002/cbdv.202403306","DOIUrl":"https://doi.org/10.1002/cbdv.202403306","url":null,"abstract":"Zanthoxylum schinifolium is used traditionally as herbal medicine, spice and flavouring agent, with its essential oil (ZEO）having potential anti-inflammatory and analgesic activity. In this study, the ZEO was extracted using supercritical CO2（Sup-CO2), and the extraction process optimized using Response Surface Methodology. The composition of the ZEO was analyzed using gas chromatography-mass spectrometry (GC-MS), while the role of the ZEO in inhibiting the release of inflammatory factors from LPS-stimulated RAW264.7 cells. In addition, classical pharmacological experiments were conducted to examine its anti-inflammatory and analgesic effects. The study found that conditions for Sup-CO2 extraction of EO from Z. schinifolium were a pressure of 14 MPa, CO2 flow rate of 18 L/h, extraction time of 1.5 hours, temperature of 55℃, and granularity of 40 mesh. The yield of ZEO under these conditions were 9.40%. Analysis of the ZEO revealed 18 components, with linalool (72.44%), D-limonene (4.94%), and 4,6-dimethyldodecane (3.74%) being the most abundant. The ZEO showed significant inhibitory effects on mouse ear swelling, foot swelling, hot plate analgesia, and writhing response. In addition, the ZEO reduced the production of inflammatory markers in macrophages. These findings suggested that the ZEO extracted by Sup-CO2 has potential pharmaceutical applications due to its anti-inflammatory and analgesic effects.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202403306"},"PeriodicalIF":2.3,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143584871","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

Anti-Neuroinflammatory Labdane Diterpenoids From the Rhizomes of Alpinia zerumbet.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-03-10 DOI: 10.1002/cbdv.202500154

Jinghui Wu, Wenxin Zhang, Jingwen Xu, Yihai Wang, Xiangjiu He

引用次数: 0

Exploring USFDA-Approved Imidazole-Based Small Molecules in Drug Discovery: A Mini Perspective.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-03-10 DOI: 10.1002/cbdv.202403020

Sonali Gupta, M Arockia Babu, Roshan Kumar, Thakur Gurjeet Singh, Anjali Goel, Sameer Rastogi, Pankaj Sharma, Yogita Tyagi, Kapil Kumar Goel, Bhupinder Kumar

{"title":"Exploring USFDA-Approved Imidazole-Based Small Molecules in Drug Discovery: A Mini Perspective.","authors":"Sonali Gupta, M Arockia Babu, Roshan Kumar, Thakur Gurjeet Singh, Anjali Goel, Sameer Rastogi, Pankaj Sharma, Yogita Tyagi, Kapil Kumar Goel, Bhupinder Kumar","doi":"10.1002/cbdv.202403020","DOIUrl":"10.1002/cbdv.202403020","url":null,"abstract":"In the present work, we have explored the importance of the imidazole ring and its importance in drug discovery, citing the key approvals in the present decade (2013-2024). The pharmacological attribution for the approved drugs revealed that out of 20 approved drugs, 45% of the approvals were made as anti-infectives, followed by approvals under the category of genetic and metabolic disorders, sexual endocrine disorders, anticancer, and to treat blood pressure, gastrointestinal disorders, and neurological conditions. Most approved drugs were dispensed through solid dosage forms (13) and thus had predominantly oral routes beside others. The metabolism pattern revealed that the drugs undergo metabolism via the involvement of multiple enzymes, where CYP3A4 and CYP3A5 were the core enzymes. The excretion pattern of these drugs revealed that the drugs are majorly excreted via the fecal route. The chemical analysis showed that pyrrolidine/pyrrole was the major heterocycle in the approved drugs, followed by the indole ring in the hybridization. Considering the substitution pattern, most drugs possessed amide, amines, and fluoro group as the functional substitution with the 2,4-substitution pattern seen in most approved drugs. Besides this, the three approved drugs were found to possess chiral centers and exhibit chirality. The article also expanded to cover the synthetic routes and metabolic routes for this versatile ring system and case studies for its utility to serve as bioisostere in drug discovery. Furthermore, this article also presents the receptor-ligand interactions of imidazole-based drugs with various target receptors. The present article is, therefore, put forth to assist medicinal chemists and chemists working in drug discovery of this versatile ring system.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202403020"},"PeriodicalIF":2.3,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143584634","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

Targeted Screening of Cyclooxygenase-2 Inhibitors from Dendropanax dentiger root Using Affinity Ultrafiltration Coupled with UHPLC-MS.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-03-10 DOI: 10.1002/cbdv.202500090

Qihui Wang, Bowei Xia, Ronghua Liu, Qianying Yang, Xin Li, Li Yang, Junwei He

{"title":"Targeted Screening of Cyclooxygenase-2 Inhibitors from Dendropanax dentiger root Using Affinity Ultrafiltration Coupled with UHPLC-MS.","authors":"Qihui Wang, Bowei Xia, Ronghua Liu, Qianying Yang, Xin Li, Li Yang, Junwei He","doi":"10.1002/cbdv.202500090","DOIUrl":"https://doi.org/10.1002/cbdv.202500090","url":null,"abstract":"Cyclooxygenase-2 (COX-2) plays a critical role in the pathogenesis of rheumatoid arthritis (RA), while Dendropanax dentiger root (DDR) is a traditional Chinese medicine (TCM) used to treat RA. However, the specific bioactive ingredients responsible for its therapeutic effect remain unidentified. In this study, 10 phenylpropanoids, including neochlorogenic acid, chlorogenic acid, cryptochlorogenic acid, liriodendrin, isochlorogenic acid B, isochlorogenic acid A, eleutheroside E1, isochlorogenic acid C, 3,5-di-O-caffeoylquinic acid methyl ester, and 4,5-di-O-caffeoylquinic acid methyl ester, were identified as potential COX-2 inhibitors in DDR using affinity ultrafiltration coupled with ultra-high-performance liquid chromatography and mass spectrometry (AUF-LC-MS). Mass spectrometric fragmentation patterns of these compounds were analyzed, revealing consistent and logical fragmentation profiles. Molecular docking results revealed that all ten compounds exhibited strong binding affinities with COX-2, with binding energies ranging from -8.0 to -9.8 kcal/mol. Further experimental validation confirmed that these compounds exhibited potent COX-2 inhibitory activity, with IC50 values ranging from 5.2 to 10.3 µM. These compounds are likely to represent the primary anti-inflammatory components of DDR. Additionally, this study provides a systematic identification of chlorogenic acids within the Dendropanax genus and investigates their mass spectrometric fragmentation patterns. The findings contribute to the scientific basis for the clinical application of DDR.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202500090"},"PeriodicalIF":2.3,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143584877","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

Azaphenothiazine Conjugates: A New Class of Antimicrobial Compounds.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-03-10 DOI: 10.1002/cbdv.202403338

Khushbu Kushwaha, Devan Buchanan, Angel Nkosi, Jatin Jangra, Rajnish Kumar, Sandeep Kumar Singh, Subhash C Jain, Siva S Panda

{"title":"Azaphenothiazine Conjugates: A New Class of Antimicrobial Compounds.","authors":"Khushbu Kushwaha, Devan Buchanan, Angel Nkosi, Jatin Jangra, Rajnish Kumar, Sandeep Kumar Singh, Subhash C Jain, Siva S Panda","doi":"10.1002/cbdv.202403338","DOIUrl":"https://doi.org/10.1002/cbdv.202403338","url":null,"abstract":"Although phenothiazines have been widely explored in medicinal chemistry for over a century, little attention has been paid to their pyridine analogs, azaphenothiazines. This article reports the first synthesis, characterization, and antimicrobial evaluation of S-oxide analogs of N-aminoalkylated azaphenothiazines as antibacterials and antifungals. The optimized synthetic protocol enabled the production of the desired azaphenothiazine sulfoxides 12a-e and sulfonyls 14a-e, respectively. In addition to the x-ray crystal structure of azaphenothiazine sulfoxide intermediate 10, each target compound was characterized using spectroscopy techniques. All of these were investigated in vitro for antibacterial and antifungal activity against several strains of bacteria and fungi. Biological assays revealed selective antibacterial activity, with sulfoxides (12a-e) exhibiting broad inhibition and sulfones (14a-e) showing selectivity toward gram-negative bacteria. Compound 12c demonstrated fourfold higher potency against Escherichia coli than the reference drug. In antifungal studies, compound 14c showed the highest activity (MIC 1.2 µg/mL against Candida albicans). Our in silico evaluations utilized molecular dynamic (MD) and docking studies for active-site binding simulations, revealing favorable drug-like properties and pharmacokinetics. Finally, toxicology assays determined all synthesized analogs to be non-toxic to kidney and hepatic tissues. This report highlights the newly described S-oxide azaphenothiazine conjugates and their potential as potent antimicrobial agents.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202403338"},"PeriodicalIF":2.3,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143596364","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

Salicylic Acid and Chitosan Elicitors: Pre-Harvest Foliar Applications Improve Antioxidant Activity by Increasing Phenolic Compounds in Achillea gypsicola Hub-Mor.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-03-10 DOI: 10.1002/cbdv.202402716

Muhammed Akif Açıkgöz

引用次数: 0

Nephrolepris cordifolia (L.) C.Presl Frond Micromorphology, Hydrosol Phytochemical Profiling, and Antibacterial Activity Against Foodborne Bacteria.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-03-09 DOI: 10.1002/cbdv.202403250

Keisham Niranjan Singh, Khumballambam Roshibina Devi, Amit Seth

{"title":"Nephrolepris cordifolia (L.) C.Presl Frond Micromorphology, Hydrosol Phytochemical Profiling, and Antibacterial Activity Against Foodborne Bacteria.","authors":"Keisham Niranjan Singh, Khumballambam Roshibina Devi, Amit Seth","doi":"10.1002/cbdv.202403250","DOIUrl":"10.1002/cbdv.202403250","url":null,"abstract":"Fern species from biodiversity-rich northeastern India are relatively underexplored. Morphological, phytochemical, and antimicrobial profiling of Nephrolepris cordifolia (L.) C.Presl has been undertaken in the present study. The morphological structure of frond epidermal cells and spores has been revealed through light microscopy (LM) and scanning electron microscopy (SEM) observation, including the size measurement of epidermal and stomatal cells. The spores are ellipsoidal, having a polar-to-equatorial ratio of 0.89. SEM confirmed the existence of a typical verrucate type of exine ornamentation of the spores. Phytochemical analysis based on GC-MS analysis of N. cordifolia hydrosol (NH01) indicated the presence of six phytochemical compounds, with methyl-9-eicosenoate as the most volatile with an RT value of 36.76 and 2,3-dihydrobenzofuran considered a volatile bioactive component having RT value of 21.35. Functional group detection of the hydrosol has revealed an aldehydic C─H functional group that was corroborated through FTIR analysis. Microbial growth inhibitory capability analysis also displayed an inhibitory potential against foodborne spoilage bacteria, including both Gram-positive and Gram-negative bacteria, exhibiting more effectiveness against Gram-positive bacteria with lower MICs value of 50 µg/mL, thus indicating hydrosol feasible for application in food protection as antimicrobial potency agent.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202403250"},"PeriodicalIF":2.3,"publicationDate":"2025-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143584869","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

Schisandrol A mitigated voriconazole-induced liver injury in mice through regulation of farnesoid X receptor-mediated bile acid metabolism.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-03-09 DOI: 10.1002/cbdv.202402769

Fangxu Qin, Lifeng Tian, Zhien Wang, XiongQuan Qiu

{"title":"Schisandrol A mitigated voriconazole-induced liver injury in mice through regulation of farnesoid X receptor-mediated bile acid metabolism.","authors":"Fangxu Qin, Lifeng Tian, Zhien Wang, XiongQuan Qiu","doi":"10.1002/cbdv.202402769","DOIUrl":"https://doi.org/10.1002/cbdv.202402769","url":null,"abstract":"Schisandrol A has been previously used to mitigate hepatotoxicity. However, the effects of schisandrol A on voriconazole-induced hepatic injury have not been investigated. In this study, we aimed to explore the effects of schisandrol A on voriconazole-induced hepatic injury in mice, as well as to elucidate the underlying mechanism. Mice were continuously treated with voriconazole with or without schisandrol A administration. Acetaminophen was used as a positive control to induce liver damage. Hematological, histological, and gene analyses were conducted, and the therapeutic target of schisandrol A was verified. Our results showed that voriconazole-induced hepatic injury was similar to that induced by acetaminophen. Importantly, schisandrol A alleviated voriconazole-induced hepatic steatosis, cell death, inflammation, and fibrosis. Schisandrol A reduced oxidative damage and inflammation in the liver. Furthermore, schisandrol A reduced total bile acid, cholesterol, and triglyceride levels in the liver and serum. The expression of farnesoid X receptor (FXR), small heterodimer partner, cytochrome P450 (CYP) 7A1, and CYP8B1 in the liver was altered by schisandrol A treatment. The binding of schisandrol A to FXR was verified by the cellular thermal shift assay and molecular docking. In conclusion, these findings suggested the favorable effects of schisandrol A against voriconazole-induced hepatotoxicity.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202402769"},"PeriodicalIF":2.3,"publicationDate":"2025-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143584875","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

A novel trypsin inhibitor with immunomodulatory activity from the leaves of Cissus verticillata subsp. verticillata (L.) Nicolson & C.E.Jarvis.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-03-08 DOI: 10.1002/cbdv.202403287

Luis Afonso Silveira Farias, Robson Raion de Vasconcelos Alves, Abdênego Rodrigues da Silva, Georon Ferreira de Sousa, Pollyanna Michelle da Silva, Ana Rosa Peixoto, Roberto Araújo Sá, Thâmarah de Albuquerque Lima, Russolina Benedeta Zingali, Cristiane Moutinho Lagos de Melo, Patrícia Maria Guedes Paiva, Thiago Henrique Napoleão, Maria Tereza Dos Santos Correia

{"title":"A novel trypsin inhibitor with immunomodulatory activity from the leaves of Cissus verticillata subsp. verticillata (L.) Nicolson & C.E.Jarvis.","authors":"Luis Afonso Silveira Farias, Robson Raion de Vasconcelos Alves, Abdênego Rodrigues da Silva, Georon Ferreira de Sousa, Pollyanna Michelle da Silva, Ana Rosa Peixoto, Roberto Araújo Sá, Thâmarah de Albuquerque Lima, Russolina Benedeta Zingali, Cristiane Moutinho Lagos de Melo, Patrícia Maria Guedes Paiva, Thiago Henrique Napoleão, Maria Tereza Dos Santos Correia","doi":"10.1002/cbdv.202403287","DOIUrl":"https://doi.org/10.1002/cbdv.202403287","url":null,"abstract":"In this study, we purified and characterized a trypsin inhibitor (CvLTI) from the leaves of Cissus verticillata subsp. verticillata. CvLTI was isolated using a trypsin-agarose column and evaluated for stability towards heating (30 to 100 °C) and incubation at different pH values (2.0 to 10.0). Furthermore, CvLTI was investigated for antibacterial activity against phytopathogens, hemolytic activity as well as cytotoxicity and immunomodulatory effects on peripheral blood mononuclear cells (PBMCs). CvLTI (14.3 kDa, pI 5.3) showed sequence similarities with an endochitinase and showed a trypsin inhibitory activity thermostable and higher at acidic pH. The inhibitor exerted bacteriostatic effects on Pectobacterium isolates (minimum inhibitory concentration: 462 µg/mL). CvLTI showed hemolytic activity with an EC50 of 33 μg/mL. CvLTI (12.5 and 25.0 μg/mL) induced the release of cytokines IL-4, IL-6, IL-10 and TNF-α by PBMCs. These data will drive further studies on the toxicity, antitumor, and anti-inflammatory potentials of safe doses of CvLTI.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202403287"},"PeriodicalIF":2.3,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143584698","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