Biointerface Research in Applied Chemistry最新文献_第10页

Cryoprotective Effect of Pyrano-[2,3-C]-Pyrazoles on H2O2 Induced Damage in Tetrahymena thermophila 吡喃-[2,3-C]-吡唑类化合物对高温四膜虫H2O2损伤的低温保护作用

Biointerface Research in Applied Chemistry Pub Date : 2022-09-10 DOI: 10.33263/briac134.305

引用次数: 1

Review on Computer-Aided Drug Design (CADD) Technique in Drug Discovery Researches and Solvent-Free Synthesis of 3,4-Dihydropyrimidin-2-(1H)-Ones/Thiones Catalyzed by Camphor Sulfonic Acid 计算机辅助药物设计技术在药物发现研究和樟脑磺酸催化无溶剂合成3,4-二氢嘧啶-2-（1H）-酮/噻吩中的应用综述

Biointerface Research in Applied Chemistry Pub Date : 2022-09-10 DOI: 10.33263/briac134.303

引用次数: 0

Analysis of Distance 2 Topological Models of Alkanes 烷烃的距离2拓扑模型分析

Biointerface Research in Applied Chemistry Pub Date : 2022-09-10 DOI: 10.33263/briac134.307

引用次数: 0

Quantitative Structure-Property Relationship Analysis on Priority PAHs Using Certain Closed Neighbourhood Topological Indices 基于封闭邻域拓扑指标的优先多环芳烃定量构性关系分析

Biointerface Research in Applied Chemistry Pub Date : 2022-09-10 DOI: 10.33263/briac134.306

引用次数: 0

Interactive Performance of Wheat Nitrogen Fertilization and Inoculation with Growth-Promoting Bacteria 小麦氮肥与促生长细菌接种的交互作用

Biointerface Research in Applied Chemistry Pub Date : 2022-09-10 DOI: 10.33263/briac134.304

{"title":"Interactive Performance of Wheat Nitrogen Fertilization and Inoculation with Growth-Promoting Bacteria","authors":"","doi":"10.33263/briac134.304","DOIUrl":"https://doi.org/10.33263/briac134.304","url":null,"abstract":"The exploitation of plant growth-promoting rhizobacteria (PGPR) emerges as an important strategy for fixing atmospheric nitrogen (N) and making it available to plants. Correspondingly, the purpose of this study was to evaluate the inoculation with Azospirillum brasilense via foliar with distinct N doses (40, 20, and 0 kg/ha) for different wheat cultivars (Sossego, Toruk, and Quartzo). The experiment was conducted during the 2020 harvest at the State University of Rio Grande do Sul, Cachoeira do Sul, Brazil. A completely randomized design (CRD) in a 3x6 factorial scheme with four replications was applied. Yield components and grain yield were established. Furthermore, the physicochemical characterization of wheat siliqua biomass was executed based on subcritical water hydrolysis (SWH). Gluten and mass analysis was established. Appropriately, the grain yield was up to 3197.05 kg/ ha for the Sossego cultivar with the N dose of 40 kg/ ha. Up to 0.84 g reducing sugars/ 100 g wheat siliqua was obtained based on the SWH. Finally, this study promoted N management as a key factor in increasing grain yield. This scenario reports the importance of the association of PGPRs as a fundamental promoter of N for plants to express their maximum potential.","PeriodicalId":9026,"journal":{"name":"Biointerface Research in Applied Chemistry","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45979045","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Molecular Docking, ADMET Prediction, and Quantum Computational on 2-Methoxy Benzoyl Hydrazone Compounds as Potential Antileishmanial Inhibitors 2-甲氧基苯甲酰腙化合物作为潜在抗癫痫抑制剂的分子对接、ADMET预测和量子计算

Biointerface Research in Applied Chemistry Pub Date : 2022-09-10 DOI: 10.33263/briac134.302

{"title":"Molecular Docking, ADMET Prediction, and Quantum Computational on 2-Methoxy Benzoyl Hydrazone Compounds as Potential Antileishmanial Inhibitors","authors":"","doi":"10.33263/briac134.302","DOIUrl":"https://doi.org/10.33263/briac134.302","url":null,"abstract":"Leishmaniasis is a neglected disease that affects about one million people a year worldwide and is present in over 90 countries. This illness is a serious public health issue since it can result in mutilation, incapacity, and even death. The drugs currently used for treatment are highly toxic, ineffective, expensive, and may cause antiparasitic resistance. A series of twenty-five 2-methoxy benzoyl hydrazone derivatives have recently been identified as promising antileishmanial inhibitors and was addressed using a molecular docking approach. All docked compounds interacted well within the active pocket of the receptor. Compounds M12, M15, M16, and M20 show a good binding energy value of -9.40, -8.90, -9.00, and -9.20 Kcal/mol, respectively, compared to pentamidine (-8.20 Kcal/mol), used as reference drug. These molecules also present many types and numbers of interactions with the studied receptor. The studied molecules were evaluated for their pharmacokinetic properties using ADMET prediction. They showed good bioavailability, particularly the molecules M12, M15, and M16 which were found to be non-toxic. Quantum calculations using the DFT approach were performed on the four selected compounds to determine the most electrophilic and nucleophilic of them. These findings would be very helpful in the search for new antileishmanial inhibitors.","PeriodicalId":9026,"journal":{"name":"Biointerface Research in Applied Chemistry","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44844109","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Investigation of the Antibiofilm Activity of Some Spices and Medicinal Plants Essential Oils 几种香料及药用植物精油抗菌活性的研究

Biointerface Research in Applied Chemistry Pub Date : 2022-09-08 DOI: 10.33263/briac134.301

引用次数: 0

Synthesis, Characterization, and in Vitro Anticancer Evaluation of 2-Aryl-4-Arylsulfonyl-5-RS-1,3-Oxazoles 2-芳基-4-芳基磺酰基-5-RS-1,3-恶唑类化合物的合成、表征及体外抗癌活性评价

Biointerface Research in Applied Chemistry Pub Date : 2022-07-19 DOI: 10.33263/briac134.336

Volodymyr Zyabrev, B. Demydchuk, V. Zhirnov, V. Brovarets

{"title":"Synthesis, Characterization, and in Vitro Anticancer Evaluation of 2-Aryl-4-Arylsulfonyl-5-RS-1,3-Oxazoles","authors":"Volodymyr Zyabrev, B. Demydchuk, V. Zhirnov, V. Brovarets","doi":"10.33263/briac134.336","DOIUrl":"https://doi.org/10.33263/briac134.336","url":null,"abstract":"A novel series of 4-arylsulfonyl-1,3-oxazoles have been synthesized and characterized by IR, 1H NMR, 13C NMR spectroscopy, elemental analysis, and chromato-mass-spectrometry. The anticancer activities of all the newly synthesized compounds were evaluated via a single high dose (10 µM) against 59 cancer cell lines (without Melanoma SK-MEL-5) by the National Cancer Institute according to its screening protocol. Among these compounds, 2-[4-(4-chlorophenyl)sulfonyl-2-phenyl-oxazol-5-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide exhibited the highest activity against lines SNB75 and SF-539 of the CNS Cancer subpanel present in Glioblastoma and Gliosarcoma, respectively, exerting a cytostatic effect. 2-[4-(4-Bromophenyl)sulfonyl-2-phenyl-oxazol-5-yl]sulfanylacetamide has the highest antiproliferative activity against the HOP-92 (carcinoma) of the Non-Small Cell Lung Cancer subpanel, while N-(4-ethoxyphenyl)-2-[2-phenyl-4-(p-tolylsulfonyl)oxazol-5-yl]sulfanyl-acetamide exhibits cytotoxic activity against NCI-H226 (pleural mesothelioma) the Lung subpanel. The COMPARE analysis showed that the average graphs of the tested compounds have a weak or slightly moderate positive correlation with compounds with a known mechanism of antitumor activity, suggesting its specificity. These compounds demonstrated the anticancer activity against different individual cancer cell lines. This makes it possible to consider it a leading compound for further in-depth studies and synthesis of new 4-arylsulfonyl-1,3-derivatives oxazole with antitumor activity.","PeriodicalId":9026,"journal":{"name":"Biointerface Research in Applied Chemistry","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46111491","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Quantitative Proteomic Assessment of Key Proteins Regulated by Electrical Pulse-mediated Galloflavin Delivery in Triple-Negative Breast Cancer Cells 电脉冲介导的三阴性乳腺癌症细胞中核黄素转运调控关键蛋白的定量蛋白质组学评估

Biointerface Research in Applied Chemistry Pub Date : 2022-07-19 DOI: 10.33263/briac133.297

{"title":"Quantitative Proteomic Assessment of Key Proteins Regulated by Electrical Pulse-mediated Galloflavin Delivery in Triple-Negative Breast Cancer Cells","authors":"","doi":"10.33263/briac133.297","DOIUrl":"https://doi.org/10.33263/briac133.297","url":null,"abstract":"Triple-negative breast cancer (TNBC) is the most lethal subset of breast cancers, lacking targeted therapies. There is a critical need to identify alternative treatments for TNBC. Towards this, in this research, we investigated the anticancer effects of Galloflavin (GF), an LDHB inhibitor, in reducing the proliferation of MDA-MB-231, the human triple-negative breast cancer cells. To enhance the uptake of GF, we applied electrical pulses (EP) with GF and studied its protein profile characteristics and viability. We used GF at a concentration of 100μM with 800V/cm, 100μs, and eight electrical pulses to treat these cells. Label-free, high throughput, quantitative proteomics results indicated that 172 proteins were significantly downregulated, while 222 proteins were significantly upregulated. The upregulated proteins include Cytochrome C Oxidase Assembly Factor and Mitochondrial Ribosomal proteins. Key downregulated proteins include LDHB, and ENO1 in EP+GF treatments, compared to GF only, indicating the effect of EP+GF combination in reducing the proliferation of the TNBC cells. These results pave the path for additional therapy for TNBC and the various pathways the TNBC cells proceeded with Electrochemotherapy.","PeriodicalId":9026,"journal":{"name":"Biointerface Research in Applied Chemistry","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49090867","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 2

Synthesis, In silico Molecular Docking Studies and antimicrobial evaluation of Some New Anthracene Derivatives Tagged with Arylidene, Pyridine, Oxazole, and Chromene Moieties as Promising Inhibitors of Bacterial DNA gyrase 以芳基、吡啶、恶唑和铬基标记的新型蒽衍生物作为细菌DNA旋切酶抑制剂的合成、硅分子对接研究和抗菌评价

Biointerface Research in Applied Chemistry Pub Date : 2022-07-19 DOI: 10.33263/briac133.299

{"title":"Synthesis, In silico Molecular Docking Studies and antimicrobial evaluation of Some New Anthracene Derivatives Tagged with Arylidene, Pyridine, Oxazole, and Chromene Moieties as Promising Inhibitors of Bacterial DNA gyrase","authors":"","doi":"10.33263/briac133.299","DOIUrl":"https://doi.org/10.33263/briac133.299","url":null,"abstract":"Here, A series of unprecedented derivatives of several heterocyclic compounds, including arylidene, pyridine, oxazole, and chromene, were designed with the anthracene moiety starting from 2-cyano-pyrroloanthracen acetamide (1). The chemical composition of all synthesized compounds was established by spectral analysis FT-IR, 1H-NMR, 13C-NMR, and Mass spectra. Also, the new compounds were docked to the active site of the DNA gyrase B chain enzyme, and the suitable binding interactions were displayed according to their bond lengths and conformational energies. The structure-activity relationship analysis showed that the antimicrobial activity could be modulated by the existence of anthracene moiety, electron-withdrawing groups, and amide linkage. In silico ADMET (absorption, metabolic, distribution, toxicity, and excretion) predictions for the compounds 1-7 were calculated to gain insight into their pharmacokinetics, safety, and drug-likeness profile. The antimicrobial investigations of all synthesized molecules were achieved against Gram-negative (Escherichia coli) and Gram-positive (Bacillus cereus) bacterial strains. Results indicated that the compounds exhibited promising activity against strains. Therefore, the newly hybrid anthracene molecules could serve as promising chemical scaffolds to develop upcoming drug candidates as antimicrobial agents.","PeriodicalId":9026,"journal":{"name":"Biointerface Research in Applied Chemistry","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42706279","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0