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Synthesis of new azobenzene dyes clubbed with thiazolidinone moiety and their applications

Purpose: The purpose of this paper is to synthesize some new azobenzene dyestuffs clubbed with thiazolidinone moiety and their solicitation in dyeing polyester fabrics representing their antibacterial evaluation. Design/methodology/approach: Herein, the authors report the synthesis of new thiazolidinone moiety after the coupling of diazotized 4-aminoacetophenone with resorcinol. The newly synthesized dyes were characterized by IR, elemental analysis, mass spectroscopy and proton nuclear magnetic resonance (1H NMR) spectral studies. The characteristics of dyeing of these dyestuffs were evaluated at optimum conditions. Concurrent with dyeing of polyester fabric for synthesized dyes with their antibacterial activity was estimated. Antimicrobial activity of the dyed fabrics at different concentrations was evaluated against gram-positive and gram-negative bacteria. Findings: Synthesized azobenzene dyestuffs clubbed with thiazolidinone dyes were applied on polyester fabrics. It was remarked that the modified dyes exhibited better colourfastness properties. Furthermore, the synthesized dyes revealed antimicrobial activity against gram-positive and gram-negative bacteria. Research limitations/implications: The synthesized azobenzene dyes for polyester dyeing were not bore earlier. Practical implications: The azobenzene dyes were accountable for giving improved colourfastness properties on polyester fabrics. Social implications: The synthesized azobenzene derivatives are sensibly expensive and applicable dyes accompanied with good antimicrobial and anticancer activities. Originality/value: A common process could be affording textiles of colour and antibacterial assets. The newly synthesized dyes containing thiazolidinone moieties with azobenzene coupler showed interesting disperse colourant for polyester with good antibacterial activity.

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Structural activity analysis, spectroscopic investigation, biological and chemical properties interpretation on Beta Carboline using quantum computational methods

Organic chemistry; Theoretical chemistry; -carboline; QSAR; biological activity; chemical reaction path; bathochromic; electronic shift; VCD. In this methodological work, the structural activity analysis have been carried out on beta-Carboline to study the anti cancer activity and the way of improving the biological activity. The molecular spectroscopic tools were used to evaluate all the experimental data like spectral results and data were validated by the computational, HyperChem and Osiris tools. The structural, biological and physico-chemical related analyses have been performed to interpret the properties. The GPCR ligand calculated to be 0.11 for generating pharmacokinetic process, Specified drug information for the compound, was congregated from all types of structural activity which was drawn by spectral and HyperChem data. The sigma and pi interaction band gap (6.18 eV) ensured the drug consistency. The Mulliken charge process distribution was mapped, the charge orientation assignment was checked; the acquired negative charge potential consignment for the cause of antibiotic impact was verified. The molecular orbital interaction study was carried out to identify the origination of degeneracy of interaction causing drug mechanism. Using NMR spectral pattern, the chemical reaction path was recognized and the nodal region dislocation was distinguished on chemical shift. The Electronegativity (chi) and Electrophilicity charge transfer found to be 3.83 and 0.215, confirmed charge complex transfer for activating drug process in the compound. The molecular nonbonding section was thoroughly observed in order to find the occupancy energy, was the key process to initiate drug activity. The bathochromic electronic shift was observed and the existence of CT complex was discussed. The hindering of toxicity was inspected on inevitable chirality of the compound by specifying VCD spectrum.

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Open source drug discovery: Highly potent antimalarial compounds derived from the tres cantos arylpyrroles

The development of new antimalarial compounds remains a pivotal part of the strategy for malaria elimination. Recent large-scale phenotypic screens have provided a wealth of potential starting points for hit-to-lead campaigns. One such public set is explored, employing an open source research mechanism in which all data and ideas were shared in real time, anyone was able to participate, and patents were not sought. One chemical subseries was found to exhibit oral activity but contained a labile ester that could not be replaced without loss of activity, and the original hit exhibited remarkable sensitivity to minor structural change. A second subseries displayed high potency, including activity within gametocyte and liver stage assays, but at the cost of low solubility. As an open source research project, unexplored avenues are clearly identified and may be explored further by the community; new findings may be cumulatively added to the present work.

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Synthesis and quantum chemical studies on the tautomeric structures of new thiazole and thiadiazine derivatives

New series of thiazoles and thiadiazines incorporated with pyrazole ring were synthesized via the reaction of 2-(1-(4-cyano-1,5-diphenyl-1H-pyrazol-3-yl)ethylidene) hydrazine-carbothioamide or 4-imino-7-methyl- 2,3-diphenyl-2H-pyrazolo[3,4-d]pyridazine-5(4H)-carbothiohydrazide with different reagents. The structures of all tautomeric forms of the newly synthesized compounds were confirmed on the basis of spectral data aided with DFT and semi-empirical calculations.

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Multi-target compounds acting in cancer progression: Focus on thiosemicarbazone, thiazole and thiazolidinone analogues

Currently, cancer and its progression to metastasis result in a large number of deaths. The lack of new drugs, appropriate clinical trials for metastasis preventive drugs and incomplete understanding of the molecular machinery are the major obstacles in metastasis prevention and treatment. On the other hand, thiosemicarbazones and their bioisosteres, thiazole and thiazolidinone are recurring in a wide range of biologically active compounds that reach different targets within tumor context and represent a promising start point to access potential candidates in metastatic cancer. Therefore, the search for new lead compounds showing highest anticancer potency and less adverse effects is the major challenger in drug discovery. The search was based from 1994 to 2018, focusing on thiosemicarbazone, thiazole and thiazolidinone cores that allowed us to discuss how the three multi-target motifs have been used for the target-based design and development of anticancer agents. In the lasts years, thiosemicarbazone, thiazole, and thiazolidinone cores are recurrent in many approaches for cancer therapy. In our search, it was verified that due to its biodiversity and versatility the anticancer potential of such structures has been assigned to distinct mechanisms reinforcing the value of these cores in the anticancer drug development. The present article aims point out the current application of thiosemicarbazone, thiazole and thiazolidinone cores in the design of anticancer agents within tumor progression, acting via varied targets such as cathepsins, NDRG1 gene and kinases, showing in vitro tests, in vivo tests and clinical trials. In our search it was possible to verify that thiazole is the most studied and the most important of the three structures. Therefore, we hope to provide new insights and valuable inspiration in the research of new drugs and development and contribute to the management of cancer.

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REACTIVE OXYGEN SPECIES-BASED PRODRUGS

Provided herein are ROS-sensitive prodrug compositions and methods of treating ROS-associated diseases by administering the ROS-sensitive prodrug compositions.

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Synthesis, biological evaluation and computational studies of novel iminothiazolidinone benzenesulfonamides as potent carbonic anhydrase II and IX inhibitors

A series of iminothiazolidinone-sulfonamide hybrids (2a-k) was synthesized by heterocyclization of sulfanilamide thioureas with methyl bromoacetate and characterized by spectroscopic techniques, mass and elemental analysis. The synthesized derivatives were screened against four relevant human (h) isoforms of carbonic anydrases (CAs, EC 4.2.1.1) I, II, IV and IX. These enzymes are involved in a variety of diseases, including glaucoma, retinitis pigmentosa, epilepsy, arthritis, and tumors. Derivatives 2a-2k exhibited the best inhibitory activity against the cytosolyc hCA II (KIs are reaching the sub-nanomolar range, 0.41?37.8 nM) and against the tumor-associated isoform hCA IX (KIs are spanning between 24.3 and 368.3 nM). The binding mode of the reported iminothiazolidinone benzenesulfonamides within hCA II and IX catalytic clefts was investigated by docking studies.

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Appendix A. dithioloquinolinethiones as new potential multitargeted antibacterial and antifungal agents: Synthesis, biological evaluation and molecular docking studies

Herein we report the design, synthesis, molecular docking study and evaluation of antimicrobial activity of ten new dithioloquinolinethiones. The structures of compounds were confirmed by 1H NMR, 13C NMR and HPLC-HRMS. Before evaluation of their possible antimicrobial activity prediction of toxicity was performed. All compounds showed antibacterial activity against eight Gram positive and Gram negative bacterial species. All compounds appeared to be more active than ampicillin and almost all than streptomycin. The best antibacterial activity was observed for compound 8c 4,4,8-trimethyl-5-{[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)thio]acetyl}-4,5-dihydro-1H-[1,2]dithiolo[3,4c]quino lone-1-thione). The most sensitive bacterium En.cloacae followed by S. aureus, while L.monocytogenes was the most resistant. All compounds were tested for antifungal activity also against eight fungal species. The best activity was expressed by compound 8d (5-[(4,5-Dihydro-1,3-thiazol-2-ylthio)acetyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione). The most sensitive fungal was T. viride, while P. verrucosum var. cyclopium was the most resistant one. All compounds were more potent as antifungal agent than reference compound bifonazole and ketoconazole. The docking studies indicated a probable involvement of E. coli DNA GyrB inhibition in the anti-bacterial mechanism, while CYP51ca inhibition is probably responsible for antifungal activity of tested compounds. It is interesting to mention that docking results coincides with experimental.

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Synthesis, characterization and evolution of biological activity for new heterocyclic derivatives Schiff bases

The search included synthesis of some Schiff bases by condensation reactions of sulfadiazine with four aldehydes (2-bromo-5-hydroxybenzaldehyde, 4-N,N-dimethylaminobenzaldehyde,na phthaldehyde, 4-bromobenzaldehyde) to obtain Schiff bases (1-4), then synthesis of four new Thiozolidinones from reaction of 2-mercapto acetic and Schiff bases was carried out. The target compounds were characterized by spectral means including (FT-IR, and Uv-visible in adding of CHN elemental analysis, and some chemo-physical properties, the biological activity study toward two types of bacteria.

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Extracurricular laboratory:new discovery of Thiazolidin-2-one

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Circulating levels of adipose tissue-derived inflammatory factors in elderly diabetes patients with carotid atherosclerosis: A retrospective study

Background: Inflammation has been recognized as a key feature of both type 2 diabetes mellitus (T2DM) and atherosclerosis. However, the relationships between circulating levels of novel adipose tissue-derived inflammatory factors, including resistin, vaspin, and visfatin, and the severity of atherosclerosis have not been determined. Moreover, the associations between these inflammatory factors and obesity and insulin resistance in elderly patients remain to be clarified. Methods: A cross-sectional study of 256 elderly patients with T2DM admitted in our center was performed. Baseline circulating levels of resistin, vaspin and visfatin were measured with enzyme-linked immunosorbent assays. Ultrasonic evaluations of the carotid arteries of the patients were performed to reflect the severity of systemic atherosclerosis. Patients were classified as having mild, moderate, or severe atherosclerosis according to the results of carotid ultrasonic examination. Circulating levels of the inflammatory factors listed above also were correlated with body mass index (BMI) and homeostasis model assessment of insulin resistance (HOMA-IR). Results: With more severe carotid atherosclerosis, circulating levels of resistin (mild: 2.01 ¡À 0.23; moderate: 2.89 ¡À 1.01; severe: 3.12 ¡À 1.12; p < 0.05) and visfatin (mild: 11.63 ¡À 7.48; moderate: 15.24 ¡À 2.19; severe: 17.54 ¡À 2.98; p < 0.05) gradually increased, while level of vaspin decreased (mild: 317 ¡À 23.12; moderate: 269 ¡À 32.12; severe: 229 ¡À 14.24; p < 0.05). Subsequent results of Pearson coefficient analyses indicated that all of the tested adipose tissue-derived inflammatory factors were positively correlated with the BMI and HOMA-IR of the patients (all p < 0.05), even after adjustment for hs-CRP. Conclusions: The adipose tissue-derived inflammatory factors resistin, vaspin and visfatin may be involved in the pathogenesis of atherosclerosis in elderly T2DM patients. A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 2682-49-7 Reference£º
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