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A group of derivatives for compounds 2-Amino-3-carboxy-4,5,6,7-tetra hydrobenz -othiophene bearing different heterocyclic moieties such as Schiff bases. B-Lactum, 4-thiazolidinone.1,3-oxazepan. The newly synthesized derivatives have been supported by spectral data FT-IR, H1-NMR. All the synthesized compounds were screened for their antimicrobial activities against gram-positive and gram-negative bacteria as reference.

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B3LYP/6-311G++(d, p) calculations have been carried out to study the structural and chemical properties of thioazilinone derivatives. The optimized molecular geometry of these derivative molecules are compared with the synthesized results of Mushtaque et al. The calculated results show that the density functional theory (DFT) can well reproduce the structure of the title compounds. Highest occupied-Lowest unoccupied molecular orbital (HOMO?LUMO) gap of the derivatives molecules are comparatively smaller then bare thiazolidinone. Natural bond orbital analysis for these title molecules shows strong delocalization of lone pair electrons from N, S, and O to the chemical bonds associated with central thiazolidinonering. The infrared intensites are calculated to compare with the FT-IR observation reported by Mushtaque et al. The experimental UV-Vis spectrum of present derivatives have been recorded and compared with calculated time dependent density functional (TDDFT) approach. The qualitative measures of chemical activeness of molecules have been presented in terms molecular electrostatic potential (MEP).

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New treatments are desperately required to combat increasing rate of dengue fever cases reported in tropical and sub-tropical parts of the world. Among the ten proteins (structural and non-structural) encoded by dengue viral genome, NS2B-NS3 protease is an ideal target for drug discovery. It is responsible for the processing of poly protein that is required for genome replication of the virus. Moreover, inhibitors designed against proteases were found successful in Human Immuno-deficiency Virus (HIV) and Hepatitis C Virus (HCV). Complete molecular mechanism and a survey of inhibitors reported against dengue protease will be helpful in designing effective and potent inhibitors. This review provides an insight on molecular mechanism of dengue virus protease and covers up-to-date information on different inhibitors reported against dengue proteases with medicinal chemistry perspective.

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This invention features methods of biphasic synthesis for synthesizing combinatorial libraries and combinatorial libraries of chemical compounds utilizing the template, and combinatorial libraries of chemical compounds formed by the methods of this invention.

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Background: Thiazole is one of the leading heterocyclic five-member ring compounds that contain nitrogen and sulphur atom. Many natural and/or synthetic compounds contain thiazole as an essential moiety and possess diverse therapeutic activities. The thiazole ring was modified at different positions to generate new molecules with potent antibacterial activities. Thus, the present review enumerates the antibacterial importance of thiazole and its derivatives. Method: The mining of literature has been performed using different database which includes only peer-reviewed journals. The quality of retrieved papers was appraised using standard tools. Moreover, the significant papers were described in detail to focus on thiazole derivatives showing considerable antibacterial activity. Result: The present review describes the chemistry, SAR (Structure Activity Relationship) studies and antibacterial importance of thiazole with different synthetic procedures. Conclusion: This particular study certainly benefits the researchers interested in exploiting the antibacterial activity of thiazoles in search of novel agents.

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Free radicals generated due to exposure of radiation, environmental pollutants and as by-products of metabolised drugs. These free radicals are antagonized by molecules which are antioxidant in nature. Antioxidants are the substances which inhibit oxidation. They are moreover acknowledged as ?free radical scavengers? as they form minor reactive species via radicals. Based on origin, they are categorised into two types: exogenous and endogenous antioxidants. An Antioxidant reduces the occurrence of different disorders like: aging, cancer, diabetes, inflammation, liver disease, cardiovascular disease, cataract and nephrotoxicity and neurodegenerative disorders. Dietary antioxidants are thought to have potential capacities to avert oxidative anxiety induced diseases. This review figures the various researches on pharmacological activity of natural along with synthetic antioxidant molecules.

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The crystal structures of two closely related compounds, 1-cyclohexyl-2-(2-nitrophenyl)-1,3-thiazolidin-4-one, C15H18N2O3S, (1) and 1-cyclohexyl-2-(2-nitrophenyl)-1,3-thiazolidin-4-one 1,1-dioxide, C15H18N2O5S, (2), are presented. These compounds are comprised of three types of rings: thiazolidinone, nitrophenyl and cyclohexyl. In both structures, the rings are close to mutually perpendicular, with interplanar dihedral angles greater than 80 in each case. The thiazolidinone rings in both structures exhibit envelope puckering with the S atom as flap and the cyclohexyl rings are in their expected chair conformations. The two structures superpose fairly well, except for the orientation of the nitro groups with respect to their host phenyl ring, with a difference of about 10 between 1 and 2. The extended structure of 1 has two kinds of weak C – H?O interactions, giving rise to a closed ring formation involving three symmetry-related molecules. Structure 2 has four C – H?O interactions, two of which are exclusively between symmetry-related thiazolidinone dioxide moieties and have a parallel ‘give-and-take-fashion’ counterpart. In the other two interactions, the nitrophenyl ring and the cyclohexane ring each offer an H atom to the two O atoms on the sulfone group. Additionally, a C – H?pi interaction between a C – H group of the cyclohexane ring and the nitrophenyl ring of an adjacent molecule helps to consolidate the structure.

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Infectious diseases like malaria, tuberculosis or HIV are among the leading causes of death worldwide according to WHO estimations. Nevertheless, the fight against infectious diseases is aggravated through growing development of resistance towards current drugs and due to their severe adverse effects. The introduction of the lipophilic organometallic moiety ferrocene, a compound with a sandwich-like structure, in an existing bioactive molecule is a promising tool for the development of new more efficient drugs with innovative mechanisms of action. Thus, this review summarizes recent developments in the field of ferrocene conjugation to bioactive molecules like natural products, synthetically derived drugs, peptides as well as heterobimetallic complexes. Hereby, we will provide the reader with a summary of the most potent ferrocene derivatives reported for a plethora of infectious diseases by tabulating and critically assessing the corresponding IC50 values and the minimal inhibitory concentrations (MIC). Owing to the diverse field of infectious diseases the reported ferrocene derivatives were classified according to their targets into four main groups: antiparasitic (with antimalarial agents as biggest group), antibacterial, antifungal and antiviral agents.

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Disclosed is a prodrugs of the formula: 1 where A is a sulfur or a selenium, and R is derived from a mono- di- or oligo- saccharide.Also disclosed is a prodrug of the formulas; 2 where A is sulfur or selenium, R? is derived from a sugar and R? has the formula (CHOH)nCH2OH, where n is 1 to 5, or R? is an alkyl or aryl group, orR? is ?O, and the R? groups may be the same or different and may be hydrogen, alkyl, alkoxy, carboxy.Also disclosed is a conjugate of an antioxidant vitamin and a thiolamine or selenolamine.Also disclosed is a prodrug of the formula; 3 where A is sulfur or selenium, and R? is derived from a sugar and R? has the formula (CHOH)nCH2OH, where n is 1 to 5, or R? is also be an alkyl or aryl group, orR? is ?O, and R?is an alkoxy, or an amine group.Also disclosed is a prodrug of the formula: 4 R is COOH or H, and R? is derived from a sugar and R? has the formula (CHOH)nCH2OH, where n is 1 to 5, or R? is an alkyl or aryl group, orR? is ?O.[From equivalent US6841536] Disclosed is a prodrug of the formula: [image] where A is a sulfur or a selenium, and R is derived from a mono- di- or oligo- saccharide.Also disclosed is a prodrug of the formula: [image] where A is sulfur or selenium, R? is derived from a sugar and R? has the formula (CHOH)nCH2OH, where n is 1 to 5, or R? is an alkyl or aryl group, or R? is ?O, and the R? groups may be the same or different and may be hydrogen, alkyl, alkoxy, carboxy.Also disclosed is a conjugate of an antioxidant vitamin and a thiolamine or selenolamine.Also disclosed is a prodrug of the formula; [image] where A is sulfur or selenium, and R? is derived from a sugar and R? has the formula (CHOH)nCH2OH, where n is 1 to 5, or R? is also be an alkyl or aryl group, or R? is ?O, and R? is an alkoxy, or an amine group.Also disclosed is a prodrug of the formula: [image] where R is COOH or H, and R? is derived from a sugar and R? has the formula (CHOH)nCH2OH,where n is 1 to 5, or R? is an alkyl or aryl group, or R? is ?O.

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Schistosomiasis is considered a serious public health problem in 78 countries and territories located in Africa, Asia and America and it is estimated in more than 249 million people infected by any of the species of Schistosoma. The exclusive use of praziquantel (PZQ), effective drug against all species of Schistosoma, has been the basis of the development of a possible resistance against the strains of this parasite. In addition, PZQ is not effective against young forms of worms. Thus, there is a need for the development of new drugs with schistosomicidal activity. The objective of this work was to synthesize and to evaluate the therapeutic potential of new benzodioxole derivatives (3?14) candidates for schistosomicidal drugs. All compounds synthesized showed in vitro schistosomicidal activity. The derivative 12 was considered the best compound, since it took 100% of worms to mortality in the first 72 h of exposure at the concentration of 100 muM and 83.3% at the concentration of 50 muM. Furthermore, male and female adult worms, incubated for 24 h with the compound 12 showed tegument damages characterized by extensive desquamation and edema, tuber destruction, bubble formation and exposure of the muscle layer. This compound has a restricted structure, where the thiazolidinone is attached to the 4-position of the 1,3-benzodioxol ring. The structural conformation of derivative 12 was probably responsible for the promising schistosomicidal activity, where the presence of an electron/conformational restriction of the thiazolidine ring, as well as the action of bromine as a bulk substitute, favored an increase in biological activity. In addition, tegumentary changes caused by derivative 12 may also have been responsible for the death of adult worms of Schistosoma mansoni. Therefore, we verified that the results obtained in this study make benzodioxole derivatives possible candidates for prototypes of new schistosomicidal drugs.

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