Biointerface Research in Applied Chemistry最新文献_第4页

In Silico Drug Repurposing of 9H-Thioxanthene Based FDA-Approved Drugs as Potent Chemotherapeutics Targeting VEGFR-2 and COX-2 fda批准的9h -硫代蒽基药物作为靶向VEGFR-2和COX-2的强效化疗药物的硅药物再利用

Biointerface Research in Applied Chemistry Pub Date : 2022-10-07 DOI: 10.33263/briac134.372

引用次数: 0

Overview of Nanomaterials and Cellular Interactions 纳米材料与细胞相互作用综述

Biointerface Research in Applied Chemistry Pub Date : 2022-10-07 DOI: 10.33263/briac134.367

引用次数: 2

Structural, Characterization, Biological Activity, and DFT Studies on some Novel Ruthenium 2-Aminomethyl Benzimidazole Complexes 新型钌2-氨基甲基苯并咪唑配合物的结构、表征、生物活性及DFT研究

Biointerface Research in Applied Chemistry Pub Date : 2022-10-07 DOI: 10.33263/briac134.365

{"title":"Structural, Characterization, Biological Activity, and DFT Studies on some Novel Ruthenium 2-Aminomethyl Benzimidazole Complexes","authors":"","doi":"10.33263/briac134.365","DOIUrl":"https://doi.org/10.33263/briac134.365","url":null,"abstract":"Novel 2-aminomethyl benzimidazole (AMBI) ruthenium complexes were synthesized and thoroughly characterized by elemental analysis, spectroscopy (FTIR, 1HNMR, UV–Vis), magnetic measurements, molar conductivity, and thermal analysis techniques. According to analytical data, all complexes demonstrated a 1:1 metal-to-ligand ratio with an octahedral shape. Thermal analysis showed that the complexes have acceptable thermal stability. Cyclic voltammetry was also used to observe their redox actions, and it was found that all of the complexes had electrochemical activity. Using GAUSSIAN 09 W software, the density functional theory (DFT) method and the 3-21G basis set, optimized structures (HOMO & LUMO) of ruthenium complexes (1-4) were carried out. Additionally, the selected quantum and geometric parameters of bond lengths and angles have been determined. The antimicrobial activity of ligand and ruthenium complexes has been evaluated against bacteria (Escherichia coli, Staphylococcus aureus) and fungi (Candida albicans). Two human cancers, HePG-2(hepatocellular carcinoma) and MCF-7 (Michigan Cancer Foundation-7), were tested for cytotoxic activity of complexes. Using the ABTS technique, the antioxidant function of complexes was evaluated. Using a high-affinity Fab sandwich and a specific PCa antibody, molecular docking was utilized to anticipate how the ligand would bind to a human prostate-specific antigen (PSA) immune system receptor (3qum).","PeriodicalId":9026,"journal":{"name":"Biointerface Research in Applied Chemistry","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42915802","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

Hydroxyapatite Modified Silica Aerogel Nanoparticles: In Vitro Cell Migration Analysis 羟基磷灰石改性二氧化硅气凝胶纳米粒子的体外细胞迁移分析

Biointerface Research in Applied Chemistry Pub Date : 2022-10-07 DOI: 10.33263/briac134.373

引用次数: 0

Factors Associated with Streptococcus mutans Pathogenicity in the Oral Cavity 口腔变形链球菌致病性的相关因素

Biointerface Research in Applied Chemistry Pub Date : 2022-10-07 DOI: 10.33263/briac134.368

引用次数: 3

Design, In-Silico Studies, Synthesis, Characterization, and Anticonvulsant Activities of Novel Thiazolidin-4-One Substituted Thiazole Derivatives 新型噻唑烷-4- 1取代噻唑衍生物的设计、硅研究、合成、表征和抗惊厥活性

Biointerface Research in Applied Chemistry Pub Date : 2022-10-07 DOI: 10.33263/briac134.366

引用次数: 0

Ligand and Structure-Based Pharmacophore Modelling, Computer-aided Screening and Molecular Docking to Detect Novel NS5B Polymerase Inhibitors as Anti-HCV Compounds 基于配体和结构的药效团建模，计算机辅助筛选和分子对接检测新型NS5B聚合酶抑制剂作为抗hcv化合物

Biointerface Research in Applied Chemistry Pub Date : 2022-10-07 DOI: 10.33263/briac134.371

{"title":"Ligand and Structure-Based Pharmacophore Modelling, Computer-aided Screening and Molecular Docking to Detect Novel NS5B Polymerase Inhibitors as Anti-HCV Compounds","authors":"","doi":"10.33263/briac134.371","DOIUrl":"https://doi.org/10.33263/briac134.371","url":null,"abstract":"The ongoing interest of researchers in the direct-acting NS5B inhibitors in the development of viral disease hepatitis has attracted our attention in the direction of the development of a quantitative four-featured pharmacophore model containing HBA (2), HY (1), and PI (1) features. The model showed correlation coefficient, RMSD, and cost difference values as 0.895, 0.911, and 30.896, respectively. The model validation is done by using Fisher's randomization test (99%), internal and external tests set the expectation with r2 values of 0.80 and 0.65. Simultaneously, the 3D crystal structure of NS5B was utilized for generating a pharmacophore model design based on a structure with features generation 2 Hydrogen Bond Acceptors, 2 Hydrogen Bond Donors, and 2 Hydrophilic features. Further on these two models, HITS searches using NCI and Maybridge databases were done. Three hundred forty-five compounds were screened, and the three greatest potent hits were docked to the active site of NS5B. It was found that these docked conformations showed interactions with GLN446 and TYR448 amino acids, which are located at NS5B active site. In an instant, with the use of various computational methods in a sequence, we have identified novel structurally diverse NS5B inhibitors.","PeriodicalId":9026,"journal":{"name":"Biointerface Research in Applied Chemistry","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45965889","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

Influence of Manganese Doping on Optical Properties of Barium Ferrites Nanoparticles 锰掺杂对纳米钡铁氧体光学性能的影响

Biointerface Research in Applied Chemistry Pub Date : 2022-10-07 DOI: 10.33263/briac134.369

{"title":"Influence of Manganese Doping on Optical Properties of Barium Ferrites Nanoparticles","authors":"","doi":"10.33263/briac134.369","DOIUrl":"https://doi.org/10.33263/briac134.369","url":null,"abstract":"The barium hexaferrite magnetic materials Mn-doped BaZn1+x Mnx Fe12-2x O19 (x = 0.4, 0.8, 1.2, 1.6, and 2) were prepared using the ceramic method. The powder samples ferrite were subjected to XRD, FT-IR, and UV-Vis to investigate the nanoparticles' structural changes. UV–Vis spectroscopy is used to obtain the samples' absorption spectrum and calculate the band gap energy. X-ray diffraction patterns and FT-IR investigations confirmed the formation of a single-phase M-type hexagonal structure. The grain size was measured from Scherrer's equation, and it is found in the range of 43-56 nm, with increasing the concentration of Mn ions, which shows the enhancement in the degree of crystallinity and increase in the size of grain size. UV-vis spectroscopy was used to confirm the formation of the BaZn1+x Mnx Fe12-2x O19 nanoparticles. The transmission was found to increase slowly in the 200-290 nm wavelength and then decreased to 332 nm after that increase until the maximum for all samples was about 99% in 480-800 nm wavelengths. The highest transmission will be exclusively used for window layers in solar cells. The band gap energy increased gradually with a rise in Mn ions and a decrease in Zn ion concentration. The refractive index, dielectric constant, and optical dielectric constant decreased with an increase in Mn ions and a decrease in Zn ions concentration.","PeriodicalId":9026,"journal":{"name":"Biointerface Research in Applied Chemistry","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44581693","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: 1

The Impact of Saponins on Health-Review 皂苷对健康评论的影响

Biointerface Research in Applied Chemistry Pub Date : 2022-09-26 DOI: 10.33263/briac134.362

引用次数: 1

Nano-LC-FTMS Analysis of the Primary Structure and Post-translational Modifications of the α1 Subunit of the GABAA Receptor γ-氨基丁酸受体α1亚基一级结构和翻译后修饰的纳米LC-FTMS分析

Biointerface Research in Applied Chemistry Pub Date : 2022-09-24 DOI: 10.33263/briac134.363

{"title":"Nano-LC-FTMS Analysis of the Primary Structure and Post-translational Modifications of the α1 Subunit of the GABAA Receptor","authors":"","doi":"10.33263/briac134.363","DOIUrl":"https://doi.org/10.33263/briac134.363","url":null,"abstract":"GABAAR is one of the most significant drug targets in the treatment of neuropsychiatric disorders such as epilepsy, insomnia, anxiety, as well as anesthesia in surgical operations. However, complete information on the regulation of GABAA receptor activity is lacking. Therefore, studies are needed on post-translational modifications of receptor subunits that exhibit different pharmacological and physiological properties. GABAAR has been immunopurified from rat brain membranes on protein A agarose beads immobilized with complex anti-GABAAR antibody. Primary structure and post-translational modifications of the α1 subunit of GABAAR have been characterized by nano-LC-FTMS peptide mapping by direct in situ–gel digestion on the one-dimensional gel. The primary structure of the α1 subunit of GABAAR has been identified with high sequence coverage (81%, 371 from 455 amino acids). The extracellular domains, N-terminal and the C-terminus, have been identified with extensive sequence coverage, 85 and 100 % (214 from 249 amino acids), respectively. Other soluble domains, including the M1-M2 linker, and the M3-M4 linker, have also been determined with 100 and 85 % (75 from 88 amino acids), respectively. Transmembrane domains, including M1, M2, and M4, were identified almost completely. Post-translational modifications of the α1 subunit peptides have been found, such as phosphorylation, methionine oxidation, and carbamidomethylation.","PeriodicalId":9026,"journal":{"name":"Biointerface Research in Applied Chemistry","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46035137","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