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Ralstonia solanacearum, the causal agent of bacterial wilt, can naturally infect a wide range of host plants. The type III secretion system (T3SS) is a major virulence determinant in this bacterium. Studies have shown that plant-derived compounds are able to inhibit or induce the T3SS in some plant pathogenic bacteria, though no specific T3SS inhibitor or inducer has yet been identified in R. solanacearum. In this study, a total of 50 different compounds were screened and almost half of them (22 of 50) significantly inhibited or induced the T3SS expression of R. solanacearum. Based on the strong induction activity on T3SS, the T3SS inducer oleanolic acid (OA) was chosen for further study. We found that OA induced the expression of T3SS through the HrpG-HrpB pathway. Some type III effector genes were induced in T3SS inducing medium supplemented with OA. In addition, OA targeted only the T3SS and did not affect other virulence determinants. Finally, we observed that induction of T3SS by OA accelerated disease progress on tobacco. Overall our results suggest that plant-derived compounds are an abundant source of R. solanacearum T3SS regulators, which could prove useful as tools to interrogate the regulation of this key virulence pathway.

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A procedure to analyze sewage sludge (SS) pyrolysis liquids based on solvent fractionation has been developed. Pyrolysis liquids are separated into three different fractions: heptane soluble (Hep-sol), dichloromethane soluble (DCM-sol), and hydrochloric acid soluble (HCl-sol). Diverse techniques (GC-MS, UPLC-TOF-MS) were employed to qualitatively and quantitatively analyze liquid fractions to assess the potential production of value-added chemicals. Aliphatic hydrocarbons, aliphatic nitriles, and steroids were mostly separated in the Hep-sol fraction, phenols and fatty acids in the DCM-sol fraction, and carboxylic acids and amides in the HCl-sol fraction. The largest production was obtained for ammonia (10?14 kg per tonne of SS) and alpha-olefins (8?9 kg per tonne of SS). The potential production of some of these value-added chemicals from SS pyrolysis liquid was compared with their current European production. In the case of alpha-olefins, 16 % of their European production could be achieved by SS pyrolysis.

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Background: Thiazolidinone derivatives show inhibitory activity (IC50) against the Toxoplasma gondii parasite, as well as high selectivity with high therapeutic index. To disclose the target proteins of the thiazolidinone core in this parasite, we explored in silico the active sites of different T. gondii proteins and estimated the binding-free energy of reported thiazolidinone molecules with inhibitory effect on invasion and replication of the parasite inside host cells. This enabled us to describe some of the most suitable structural characteristics to design a compound derived from the thiazolidinone core. Results: The best binding affinity was observed in the active site of kinase proteins, we selected the active site of the T. gondii ROP18 kinase, because it is an important factor for the virulence and survival of the parasite. We present the possible effect of a derivative of thiazolidinone core in the active site of T. gondii ROP18 and described some characteristics of substituent groups that could improve the affinity and specificity of compounds derived from the thiazolidinone core against T. gondii. Conclusions: The results of our study suggest that compounds derived from the thiazolidinone core have a preference for protein kinases of T. gondii, being promising compounds for the development of new drugs with potential anti-toxoplasmosis activity. Our findings highlight the importance of use computational studies for the understanding of the action mechanism of compounds with biological activity.

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A series of novel 1, 8-dioxo-octahydroxanthene derivatives containing 4-thiazolidinone framework (4a-f) were synthesized through a four-step reaction starting from the reduction of nitro derivatives of 1, 8-dioxo-octahydroxanthenes. The resulting aminoxanthenes converted to thiourea derivatives via their reaction with methyl isothiocyanate. The final products were synthesized through the reaction of thiourea derivatives with dialkylacetylene dicarboxylates. All of the steps were carried out under easy and mild reaction conditions in the absence of expensive catalysts or esoteric starting materials. The structures of compounds 3a-c and the final products were characterized according to their physical constants, spectral data such as NMR, IR spectra and also elemental analysis.

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Aim. Synthesis of a series of thiazolidinone-and pyrazoline-related compounds. In vitro screening of antiplasmodial activity of versatile heterocyclic derivatives. Methods: Organic wet synthesis, analytical and spectral methods, pharmacological screening, SAR analysis. Results. A series of different thiazolidinone-and pyrazoline-based derivatives was screened against Plasmodium falciparum in in vitro assays. 5-(Z)-Arylidene-2-arylidenehydrazono-3-(4-hydroxyphenyl)-4-thiazolidinones showed high growth inhibition rates with the IC50-2.32-2.39 muM. 5-Bromo-1-[2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]indoline-2,3-dione 3 was the most active compound among tested with the IC50-1.81 muM. Based on the screening data some structure-activity relationships were derived. Conclusions. A set of different thiazolidinone-and pyrazoline-related derivatives with antitrypanosomal and anticancer properties was screened against Plasmodium falciparum. Hitcompounds inhibiting growth of the parasite at micromolar concentrations were identified. The obtained results provide further avenues to develop more potent antimalarial agents on the base of investigated classes of small drug-like molecules.

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Heterocyclic compounds are generally scattered in nature and occupy a prominent location in medicinal chemistry as pharmaceuticals and drug intermediates. They play a widespread role in the metabolism of living cells, and clinically used to treat diverse sicknesses. The healing significance of heterocyclics has created a much interest in the synthesis of latest heterocyclic machine instructions to look at the sulphur and nitrogen condensed biodynamic. Reviews of the pharmacological pastime of 1,2,4- triazole derivatives are presented. a few bi-heterocyclic compounds incorporating a 1,3,4-thiazole and 1,2,four-triazole ring are presented as antimicrobial dealers.1,2,4-triazole derivatives template is a privileged fragment in cutting-edge medicinal chemistry thinking about its wide pharmacological spectrum and liking for various bio-targets. It is among the usually occurring heterocyclic nuclei in many marine in addition to herbal plant merchandise possessing a wide variety of biological packages.

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The cell cycle is governed by a family of proteins i.e. cyclin dependent kinases (CDKs) and their inhibitors (CDKIs) through activating and inactivating events. Cdks are heteromeric serine/threonine kinases that control progression through the cell cycle in concert with their regulatory subunits, the cyclins. CDK activity was found to increase in different types of human tumors as well as progression and/or invasiveness of some cancers such as breast, leukemia, and melanoma. Computer aided drug design was implemented to find novel compounds as possible CDK inhibitors. Screening of 1400 drugs from DrugBank database was carried out using Molegro software against various CDKs derived from Protein Data Bank. From the result, the best three drugs which exhibited high binding affinity against all targets are reported. The analysis against eight proteins resulted in 14 drugs and the top three drugs obtained are Olmesartan, Verteporfin and Atorvastatin.

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Simple synthetic method on 2-oxazolidone derivatives was established. 2-Aminoethanols were easily subjected to the thiocarboxylation with carbon monoxide promoted by elemental sulfur, followed by the oxidative cyclization with molecular oxygen to give corresponding 2-oxazolidones in good yields under mild conditions (1 atm, rt). Furthermore, 2-imidazolidones and 2-thiazolidone were also prepared in good yields similarly.

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An amino-thiazolidinone platinum(II) compound which could rapidly induce apoptosis in tumor cells and showed no cross resistance against the cisplatin-resistant cells, was firstly to study of protein-drug interactions. To investigate the potential of Pt(II) compounds as therapeutic drugs, two Pt(II) complexes (1 and 2) were explored the influences based on their interaction in vitro with human serum albumin (HSA) by fluorescence spectrometry and UV?Vis absorption. The binding interactions of two compounds with HSA results in the formation of corresponding HSA-drug complexes, van der Waals forces and hydrogen bonding played key roles in stabilizing these complexes. Both of two compounds were through a dynamic quenching mechanism, this dynamic reversible binding process was of great significance to the equilibrium of drug concentrations in vivo, which ensured that the internal environment of the organism was in a relatively stable state.

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4-Thiazolidinone compounds have been reported to display good antioxidant activity. In the present work, the five-membered ring has been studied extensively at the DFT-B3LYP/6-311(++)G(d,p) level of theory. The geometrical features of the ring have been explored in the gas and solvent phase. Various molecular descriptor characteristics of the antioxidant compound have been calculated and compared with the reference antioxidant, trolox. Three probable antioxidant mechanisms, hydrogen atom transfer (HAT), single electron transfer (SET), and sequential proton loss electron transfer (SPLET), have been explored, both in the gas and solvent phase. It has been found that the ring exerts its antioxidant activity predominantly following the HAT pathway, both in the gas and solvent phase. In order to determine the feasibility of the overall redox reaction, the standard redox potentials have been calculated for the ring and free radicals. Furthermore, the effect of substitution on the antioxidant parameters of the ring has been explored. Results indicate that substitution at the C2 position is advantageous over that at C5 in improving such parameters. Along with this, the effect of substitution at the C2 position on the proton affinity of the C5 position has also been investigated in detail.

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