Chemistry & Biodiversity最新文献

筛选
英文 中文
Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulation Revealed the Molecular Targets and Potential Mechanism of Nauclea Latifolia in the Treatment of Breast Cancer. 网络药理学、分子对接和分子动力学模拟揭示了Nauclea Latifolia治疗乳腺癌的分子靶点和潜在机制
IF 2.3 3区 化学
Chemistry & Biodiversity Pub Date : 2024-11-06 DOI: 10.1002/cbdv.202402423
Cromwel Tepap Zemnou
{"title":"Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulation Revealed the Molecular Targets and Potential Mechanism of Nauclea Latifolia in the Treatment of Breast Cancer.","authors":"Cromwel Tepap Zemnou","doi":"10.1002/cbdv.202402423","DOIUrl":"https://doi.org/10.1002/cbdv.202402423","url":null,"abstract":"<p><p>Breast cancer (BRCA) incidence is increasing, posing a significant public health challenge and necessitating effective treatment solutions. Nauclea latifolia (N. latifolia) has shown anticancer activity against multidrug-resistant BRCA cells, though its mechanism of action remains unclear. We used online databases Swiss target prediction and GeneCards to identify therapeutic targets for BRCA and active compounds in N. latifolia. Protein-protein interaction (PPI) network was constructed using the STRING database and Cytoscape. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses were performed using the DAVID database. Molecular docking, gene expression and survival analyses of core targets were conducted using Autodock 4.0 and GEPIA2 database. We identified 141 intersecting targets for BRCA and N. latifolia compounds, with key targets including ALB, AKT1, ESR1, STAT3, EGFR, SRC, PTGS2, GSK3B, MMP9, and PPAR1. These targets are involved in cell proliferation and death through pathways such as the PI3K-Akt signaling system, metabolic pathways, cancer pathways, and proteoglycans in cancer. Gene expression and survival analysis indicated these targets as potential markers for BRCA treatment prognosis. This study provides insights into the mechanism of action of N. latifolia against BRCA cells and give a basis to clinicians for future drug development.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142582322","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
Minor Lignans with Inhibitory Activity against LPS-induced NO Production from Schisandra chinensis. 五味子中具有抑制 LPS 诱导的 NO 生成活性的小分子木酚素
IF 2.3 3区 化学
Chemistry & Biodiversity Pub Date : 2024-11-05 DOI: 10.1002/cbdv.202402354
Ping Sun, Xin-Cheng Zhuang, Rui Ao, Hua Zhang
{"title":"Minor Lignans with Inhibitory Activity against LPS-induced NO Production from Schisandra chinensis.","authors":"Ping Sun, Xin-Cheng Zhuang, Rui Ao, Hua Zhang","doi":"10.1002/cbdv.202402354","DOIUrl":"https://doi.org/10.1002/cbdv.202402354","url":null,"abstract":"<p><p>Phytochemical investigation into the fruits of Schisandra chinensis led to the isolation of seven new minor lignans, schisanchignans A-G (1-7), including one benzofuran type (1), three aryltetralin type (2-4) and three tetrahydrofuran type (5-7). Their structures were established by comprehensive spectroscopic analyses, and the absolute configurations were determined by electronic circular dichroism technique including quantum chemical calculation method. Of note, this is the first report of nor-benzofuran and aryltetralin types of lignans from S. chinensis. Compounds 1, 3 and 4 exhibited mild inhibitory activity against the lipopolysaccharide-induced production of nitric oxide in murine RAW264.7 cells.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142582317","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
Unraveling Water-Soluble Constituents of Basil (Ocimum basilicum L.) in Relation to Their Toxicity and Anti-Typhoidal Activity in Mouse Models. 揭示罗勒(Ocimum basilicum L.)的水溶性成分与其在小鼠模型中的毒性和抗伤寒活性的关系
IF 2.3 3区 化学
Chemistry & Biodiversity Pub Date : 2024-11-05 DOI: 10.1002/cbdv.202401284
Chandan Singh Chanotiya, Kamlesh Yadav, Shubham Srivastava, Raj K Lal, A Mishra, Laldingngheti Bawitlung, Deepika Srivastava, A Pal, Yatish Pant
{"title":"Unraveling Water-Soluble Constituents of Basil (Ocimum basilicum L.) in Relation to Their Toxicity and Anti-Typhoidal Activity in Mouse Models.","authors":"Chandan Singh Chanotiya, Kamlesh Yadav, Shubham Srivastava, Raj K Lal, A Mishra, Laldingngheti Bawitlung, Deepika Srivastava, A Pal, Yatish Pant","doi":"10.1002/cbdv.202401284","DOIUrl":"https://doi.org/10.1002/cbdv.202401284","url":null,"abstract":"<p><p>Plants are the major source of natural flavour ingredients reported for their wide applications in food and pharmaceuticals, oral care and wellness products, etc. We have investigated the water-soluble fractions (WSF) of basil tetraploid (O. basilicum L.) for their toxicity and biological potential against Salmonella Typhimurium, a pathogen causing around one million cases of illnesses in the United States every year. The WSF obtained using a Clevenger-type apparatus was further divided into two equal parts, one each for in-vivo toxicity evaluation and quality assessments, respectively. The proportions of major phenylpropanoid identified as meta-eugenol in the WSF were found in the range of 42.8-57.9%, which was substantially in higher proportion as compared to essential oil (20.9-23.0%). Based on sub-acute oral toxicity data, WSF has not shown any adverse effect with levels as high as 500 µL/25g body weight in Swiss albino mice. Besides, the WSF also exhibited a maximum reduction in bacterial load in mice infected with Salmonella Typhimurium in a dose-dependent manner. We have shown the biological potential of basil water-soluble fraction as an effective bacterial load-suppressing agent for the prevention of Salmonella infections in animal model.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142582326","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
Identification of New Compounds from the Roots of Rubia tibetica Hook. f. 鉴定茜草根中的新化合物
IF 2.3 3区 化学
Chemistry & Biodiversity Pub Date : 2024-11-05 DOI: 10.1002/cbdv.202401792
Qing Li, Min-Min Gu, Yu Zhang, Jin Wang, Yun-Yun Su, Hao-Lin Yu, Chen-Sen Xu, Zhi-Xin Liao
{"title":"Identification of New Compounds from the Roots of Rubia tibetica Hook. f.","authors":"Qing Li, Min-Min Gu, Yu Zhang, Jin Wang, Yun-Yun Su, Hao-Lin Yu, Chen-Sen Xu, Zhi-Xin Liao","doi":"10.1002/cbdv.202401792","DOIUrl":"https://doi.org/10.1002/cbdv.202401792","url":null,"abstract":"<p><p>Rubia tibetica Hook. f is a traditional Tibetan medicinal plant, with its roots serving as the primary medicinal part. Two new compounds, Rubiaxylm C and E (1 and 3), and one new natural compound, Rubiaxylm D (2) were isolated from R. tibetica, along with five known compounds (4-8). The structures of the previously undescribed compounds were elucidated by HR-ESIMS, 1D/2D NMR spectroscopic data and electronic circular dichroism calculations. Compound 1 is a rare anthrone substituted with a carbonyl group at position 1. Furthermore, all isolated compounds were tested for their cytotoxicity against HepG2 cell lines.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142582315","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
Alkaloids Isolated from Vepris glandulosa with Antidiabetic Properties: An In Vitro and In Silico Analysis. 从 Vepris glandulosa 中分离出的具有抗糖尿病特性的生物碱:体外和硅学分析
IF 2.3 3区 化学
Chemistry & Biodiversity Pub Date : 2024-11-04 DOI: 10.1002/cbdv.202401515
Prince Ojuka, Charles O Ochieng, Wilberforce Ndarawit, Daniel W Nyongesa, Justus Mukavi, James Nyabuga Nyariki, Seth Apollo, Cleydson B R Santos, Njogu M Kimani
{"title":"Alkaloids Isolated from Vepris glandulosa with Antidiabetic Properties: An In Vitro and In Silico Analysis.","authors":"Prince Ojuka, Charles O Ochieng, Wilberforce Ndarawit, Daniel W Nyongesa, Justus Mukavi, James Nyabuga Nyariki, Seth Apollo, Cleydson B R Santos, Njogu M Kimani","doi":"10.1002/cbdv.202401515","DOIUrl":"https://doi.org/10.1002/cbdv.202401515","url":null,"abstract":"<p><p>Diabetes is a major global health issue and as current treatments fail, the search for new antidiabetic drugs is crucial. This investigation, focusing on identifying potential antidiabetic compounds from the endangered plant species Vepris glandulosa, led to the isolation of two known alkaloids, choisyine acetate (1) and choisyine (2). The study established the in vitro inhibitory activities and in silico molecular interaction of the two alkaloids with α-amylase based on IC50 values, Linewaever-Burk/Dixon plot kinetic analyses and Molecular docking, respectively. The α-amylase inhibition assay revealed noncompetitive inhibition for both compounds with IC50 and Ki values of 4.74±0.17 and 4.75 mM for compound 1, and 11.29±0.44 and 12.37 mM for compound 2, respectively. In comparison, the standard drug acarbose displayed a competitive mode of inhibition, with IC50 and Ki values of 11.99±0.02 and 12.68 mM, respectively. The binding affinities with α-amylase were -6.42 and -6.07 kcal/mol for compounds 1 and 2, respectively relative to acarbose -8.03 Kcal/mol. Moreover, the predicted physicochemical and ADMET properties of these two compounds justified their potential as lead compounds for drug discovery. These compounds demonstrated remarkable inhibition potential comparable to the standard drug, highlighting their potential as viable alternatives in the management of diabetes.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142575114","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
Amazonins: New Peptaibol Sequences from an Endophytic Strain of Trichoderma amazonicum. Amazonins:来自内生菌株金黄毛霉的新 Peptaibol 序列。
IF 2.3 3区 化学
Chemistry & Biodiversity Pub Date : 2024-11-04 DOI: 10.1002/cbdv.202400611
Gleucinei Dos Santos Castro, Thiago Fernandes Sousa, Ingride Jarline Santos da Silva, Débora Sena Raposo, José Carlos Ipuchima da Silva, Evelyn Peñaloza, Rafael Garrett, Michel Eduardo Beleza Yamagishi, Gilvan Ferreira da Silva, Hector Henrique Ferreira Koolen
{"title":"Amazonins: New Peptaibol Sequences from an Endophytic Strain of Trichoderma amazonicum.","authors":"Gleucinei Dos Santos Castro, Thiago Fernandes Sousa, Ingride Jarline Santos da Silva, Débora Sena Raposo, José Carlos Ipuchima da Silva, Evelyn Peñaloza, Rafael Garrett, Michel Eduardo Beleza Yamagishi, Gilvan Ferreira da Silva, Hector Henrique Ferreira Koolen","doi":"10.1002/cbdv.202400611","DOIUrl":"https://doi.org/10.1002/cbdv.202400611","url":null,"abstract":"<p><p>Three new putative sequences of 14-residue peptaibols, named amazonins I-III were characterized from the endophytic fungus Trichoderma amazonicum via genome mining, high-performance liquid chromatography coupled to high-resolution tandem mass spectrometry (LC-MS/MS), and molecular networking. Bioinformatic analysis of the T. amazonicum genome assembly revealed 63 clusters of biosynthetic genes (BGCs) related to secondary metabolites, including a nonribosomal peptide synthetase accountable for the biosynthesis of the discovered peptide sequences. Analysis of the adenylation domains, along with manual interpretation of MS/MS spectra, allowed extensive annotation of the new peptaibol sequences. The combination of bioinformatic tools and LC-MS/MS provides a better opportunity to characterize and identify new peptaibol sequences. Thus, the importance of studies on the production and characterization of peptaibols produced by Trichoderma species from the Amazon region is highlighted.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142575116","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
Synthesis and Evaluation of 3,5-Disubstituted-1,2,4-Oxadiazolyl Benzamides as Potential Anti-Breast Cancer Agents: In Vitro and In Silico Studies. 作为潜在抗乳腺癌药物的 3,5-二取代-1,2,4-恶二唑基苯甲酰胺的合成与评估:体外和硅学研究。
IF 2.3 3区 化学
Chemistry & Biodiversity Pub Date : 2024-11-04 DOI: 10.1002/cbdv.202402020
Mohammad Asad, Shahid Karim, Sanobar Hasan, Mohammad Faheem Khan, Waseem Ahmad Ansari, Youssof Al Said, Mohammad Imran Khan, Mohammad Saquib, Mohd Kamil Hussain
{"title":"Synthesis and Evaluation of 3,5-Disubstituted-1,2,4-Oxadiazolyl Benzamides as Potential Anti-Breast Cancer Agents: In Vitro and In Silico Studies.","authors":"Mohammad Asad, Shahid Karim, Sanobar Hasan, Mohammad Faheem Khan, Waseem Ahmad Ansari, Youssof Al Said, Mohammad Imran Khan, Mohammad Saquib, Mohd Kamil Hussain","doi":"10.1002/cbdv.202402020","DOIUrl":"https://doi.org/10.1002/cbdv.202402020","url":null,"abstract":"<p><p>Herein, the synthesis, anti-cancer evaluation, and in silico studies of a series of 1,2,4-oxadiazole compounds (8-15) are disclosed. The synthesized molecules were tested in vitro for anti-cancer activity against MCF-7, MDA-MB-231, HeLa, Ishikawa cell lines and human embryonic kidney (HEK-293) cell lines. Among the synthesized compounds, 9 and 15 exhibited significant cytotoxicity, with IC50 values of 7.82 μM and 6.02 μM, respectively, against MCF-7 cell line, better than that of anti-breast cancer drug, tamoxifen (IC50 = 11.92 μM), used as control. Significantly, both 9 and 15 exhibited very low toxicity (IC50 > 20 µM) against normal HEK-293 cells. This suggests them as potentially effective anti-cancer lead molecules. The in vitro anti-cancer data was supported by in silico studies which also identified compounds 9 and 15 as potent inhibitors of the 17β-hydroxysteroid dehydrogenase1 (17β-HSD1) proteins, demonstrating strong interactions and stability The atom-based QSAR model exhibited high accuracy, significant regression, and predictive reliability, aiding in understanding and optimizing biological activity. The drug-likeness study of compounds 9 and 15 indicated favorable pharmacokinetics, with in silico toxicity predictions showing compound 15 to be non-toxic. These findings suggest compounds 9 and 15 as potential lead molecules against breast cancer.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142575119","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
Evaluation of Dermal Wound Healing Potential: Phytochemical Characterization, Anti-inflammatory, Antioxidant, and Antimicrobial Activities of Euphorbia guyoniana Boiss. & Reut. Latex. 皮肤伤口愈合潜力评估:Euphorbia guyoniana Boiss.乳汁。
IF 2.3 3区 化学
Chemistry & Biodiversity Pub Date : 2024-11-04 DOI: 10.1002/cbdv.202402284
Khaoula Segueni, Atef Chouikh, Salah Eddine Laouini, Abderrhmane Bouafia, Mohammed Laid Tlili, Ibtissam Laib, Ouafa Boudebia, Yahia Khelef Khelef, Mahmood M S Abdullah, Johar Amin Ahmed Abdullah, Talha Bin Emran
{"title":"Evaluation of Dermal Wound Healing Potential: Phytochemical Characterization, Anti-inflammatory, Antioxidant, and Antimicrobial Activities of Euphorbia guyoniana Boiss. & Reut. Latex.","authors":"Khaoula Segueni, Atef Chouikh, Salah Eddine Laouini, Abderrhmane Bouafia, Mohammed Laid Tlili, Ibtissam Laib, Ouafa Boudebia, Yahia Khelef Khelef, Mahmood M S Abdullah, Johar Amin Ahmed Abdullah, Talha Bin Emran","doi":"10.1002/cbdv.202402284","DOIUrl":"https://doi.org/10.1002/cbdv.202402284","url":null,"abstract":"<p><p>This study investigates the wound-healing potential of Euphorbia guyoniana latex (EGL) in male Wistar rats, along with its biochemical composition and biological activities. Phytochemical analysis identified moderate levels of phenolics, flavonoids, and tannins, with HPLC revealing five phenolic compounds. EGL demonstrated strong antioxidant activity in DPPH assays, surpassing ascorbic acid in protecting red blood cells. Its performance in the ß-carotene-linoleic acid assay was robust, though its FRAP assay results were weaker. EGL also exhibited significant anti-inflammatory activity, comparable to Acetylsalicylic acid, and showed antibacterial effects against Listeria innocua. In Vivo, EGL-infused ointments accelerated wound healing, reducing epithelialization periods to 12-16 days, with a higher wound contraction rate compared to controls. The study concludes that EGL, rich in bioactive compounds, holds potential as a promising natural agent for wound healing, owing to its potent antioxidant, anti-inflammatory, and antibacterial properties.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142567482","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
Synthesis and Cytotoxic Activities of Novel Ether Conjugates of Dihydroartemisinin and Zerumbone: Evidenced by Intergrating Network Pharmacology and In Vitro Assay. 双氢青蒿素和泽润邦的新型醚类共轭物的合成与细胞毒活性:网络药理学与体外试验相结合的证据
IF 2.3 3区 化学
Chemistry & Biodiversity Pub Date : 2024-11-04 DOI: 10.1002/cbdv.202401571
Ngoc Hung Truong, Phi Hung Nguyen, Huu Nghi Do, Xuan Ha Nguyen, Thanh Loc Vu, The Hai Pham, Hanh Trang Luu, Manh Cuong Nguyen, Van Chinh Luu
{"title":"Synthesis and Cytotoxic Activities of Novel Ether Conjugates of Dihydroartemisinin and Zerumbone: Evidenced by Intergrating Network Pharmacology and In Vitro Assay.","authors":"Ngoc Hung Truong, Phi Hung Nguyen, Huu Nghi Do, Xuan Ha Nguyen, Thanh Loc Vu, The Hai Pham, Hanh Trang Luu, Manh Cuong Nguyen, Van Chinh Luu","doi":"10.1002/cbdv.202401571","DOIUrl":"https://doi.org/10.1002/cbdv.202401571","url":null,"abstract":"<p><p>O-alkylation of the hydroxy compounds, including acetaminophen, starting compounds for the synthesis of the drug, and natural compounds with the bromides of dihydroartemisinin (DHA) and zerumbone, produced twenty novel ether conjugates 15a-j and 16a-j, respectively. Their structures were elucidated by 1D-, 2D-NMR, and HRMS data. Their in vitro cytotoxic activity was screened using three cancer cell lines: HepG2, HeLa, and PC-12. The results showed that eight out of ten conjugates in series 15a-j containing DHA skeleton exhibited activity against the tested cell lines, with IC50 values ranging from 4.26-47.37 µM. Notably, all conjugates in series 16a-j containing zerumbone scaffolds inhibited the growth of HepG2, HeLa, and PC12 with IC50 in the range of 4.46-35.07 µM. Using network pharmacology and molecular docking to target anti-liver cancer in the above 20 synthetic compounds, 271 intersection targets were discovered, including 5 targets with high degree values (EGFR, ESR1, AKT1, MDM2, and NFKB1). Artemisinin derivative 15i gave the highest binding energy for targets AKT1, EGFR, and NFKB1, while zerumbone-murrayafoline A ether 16g in the remaining series also gave the highest energy for proteins EGFR, AKT1, and NFKB1.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142567488","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
Preparation and optimization of hydrophilic modified pullulan encapsulated tetracycline for significant antibacterial and anti-biofilm activity against Stenotrophomonas maltophilia isolates. 制备和优化亲水性改性拉普兰胶囊四环素,使其对嗜麦芽单胞菌分离株具有显著的抗菌和抗生物膜活性。
IF 2.3 3区 化学
Chemistry & Biodiversity Pub Date : 2024-11-04 DOI: 10.1002/cbdv.202402252
Mahtab Asgari, Golnoosh Rezaeizadeh, Ghazal Ghajari, Zahra Azami, Parisa Behshood, Fatemeh Talebi, Tohid Piri Gharaghie
{"title":"Preparation and optimization of hydrophilic modified pullulan encapsulated tetracycline for significant antibacterial and anti-biofilm activity against Stenotrophomonas maltophilia isolates.","authors":"Mahtab Asgari, Golnoosh Rezaeizadeh, Ghazal Ghajari, Zahra Azami, Parisa Behshood, Fatemeh Talebi, Tohid Piri Gharaghie","doi":"10.1002/cbdv.202402252","DOIUrl":"https://doi.org/10.1002/cbdv.202402252","url":null,"abstract":"<p><p>The study aimed to assess the effectiveness of these formulations against  S. maltophilia in terms of their antimicrobial and anti-biofilm properties. The physicochemical characteristics of HM-PULL-Tetracycline were analyzed using a field scanning electron microscope, X-ray dispersion, Zeta potential, and dynamic light scattering analysis. The antibacterial and anti-biofilm activity was assessed using minimal biofilm inhibitory concentration and broth micro-dilution. In addition, the biocompatibility of HM-PULL-Tetracycline was assessed by investigating its cytotoxicity on the human diploid fibroblasts (HDF) normal cell line using the MTT test. The HM-PULL-Tetracycline formulation successfully prevented biofilm formation, measuring 179.7± 2.66 nm in size and with an encapsulation efficiency of 84.86± 3.14%. It exhibited a biofilm growth inhibition rating of 69% and significantly down-regulated the expression of the smf-1, rpfF, rmlA, and spgM biofilm genes in S. maltophilia strains (p<0.05). Furthermore, the HM-PULL-Tetracycline formulation exhibited a 4 to 6-fold increase in antibacterial efficacy compared to unbound tetracycline. The HM-PULL-Tetracycline formulation demonstrated cell viability of over 90% at all doses tested against HDF normal cells. The findings of the current investigation demonstrate that HM-PULL-Tetracycline enhances the bactericidal and anti-biofilm properties without causing harm to healthy human cells. This suggests that Could be a promising approach for medication administration.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142567486","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
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信