- Structural and biological study of synthesized anthraquinone series of compounds with sulfonamide feature
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1, 4 and 5, 8-Positions as well as type of functionalities on these positions at anthraquinone-9, 10-dione are proposed to be significant for anticancer activity. Therefore, keeping this into consideration, a series of 1-substituted anthraquinone-based compounds are designed, synthesized, characterized and biologically evaluated for anticancer activity. The structure of synthesized compounds is confirmed by spectroscopic analysis, i.e. 1D (1H and 13C) nuclear magnetic resonance (NMR), electrospray ionization-mass spectrometry (ESI-MS) studies and Fourier transform infrared (FT-IR) tools. Synthesized 1-substituted anthraquinone compounds showed cytotoxic effect against human breast cancer cell line (MCF-7), human prostate cancer cell line (PC-3) and Hela derivative human cell line (Hep 2C) (Hela derivative) cell lines. All the compounds showed mild antibacterial property in comparison to standard antibiotic streptomycin against Gram + ve and –ve bacteria. They also exhibit mild antifungal activity. In vitro calf thymus (ct)-DNA binding studies of synthesized series using UV–visible absorption spectra measurement and fluorescence tools indicate partial intercalative mode of binding. Electronic properties of synthesized analogues and mitoxantrone are compared using highest occupied molecular orbital–lowest occupied molecular orbital (HOMO–LUMO) calculation. Low energy gap between HOMO and LUMO of 1-substituted anthraquinone compounds indicates the highly charged structure of the molecules in comparison to mitoxantrone, and the same is proposed to be responsible for comparable cytotoxic activities of the synthesized 1-substituted anthraquinone molecules. Docking interaction of synthesized 1-substituted anthraquinone compounds and i-motif sequence indicates intercalative mode of binding of compounds with telomeric junction. Communicated by Ramaswamy H. Sarma.
- Awasthi, Pamita,Vatsal, Manu,Sharma, Anjali
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- In silico identification, design and synthesis of novel piperazine-based antiviral agents targeting the hepatitis C virus helicase
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A structure-based virtual screening of commercial compounds was carried out on the HCV NS3 helicase structure, with the aim to identify novel inhibitors of HCV replication. Among a selection of 13 commercial structures, one compound was found to inhibit the subgenomic HCV replicon in the low micromolar range. Different series of new piperazine-based analogues were designed and synthesised, and among them, several novel structures exhibited antiviral activity in the HCV replicon assay. Some of the new compounds were also found to inhibit HCV NS3 helicase function in?vitro, and one directly bound NS3 with a dissociation constant of 570?±?270?nM.
- Bassetto, Marcella,Leyssen, Pieter,Neyts, Johan,Yerukhimovich, Mark M.,Frick, David N.,Courtney-Smith, Matthew,Brancale, Andrea
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supporting information
p. 1115 - 1131
(2016/11/09)
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- Synthesis and structure-activity relationships of o-sulfonamido- arylhydrazides as inhibitors of LL-diaminopimelate aminotransferase (LL-DAP-AT)
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Recently, ll-diaminopimelate aminotransferase (ll-DAP-AT), a pyridoxal-5′-phosphate (PLP)-dependent enzyme, was reported to catalyze a key step in the biosynthesis of l-lysine in plants and Chlamydia. Previous screening of a 29201-compound library against
- Fan, Chenguang,Vederas, John C.
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supporting information; experimental part
p. 5815 - 5819
(2012/08/28)
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- SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS
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The present invention provides a compound of formula (I') or a pharmaceutically acceptable salt thereof, wherein R1, R2, R3, X and n are defined herein. The invention also relates to a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.
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Page/Page column 174
(2010/12/26)
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- PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN
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The invention provides a parakeratosis inhibitor, pore-shrinking agent, or rough skin preventing/amaliorating agent that has a function such as parakeratosis inhibition, pore shrinkage, or rough skin -inhibition/abatement, poses no safety problems such as sensory irritation, and is very safe, and further provides an external composition for skin to which a compound having the above-mentioned function has been added. The parakeratosis inhibitor, pore-shrinking agent, or rough skin preventing/amaliorating agent comprises one or more compounds selected from the group consisting of β-alanine derivatives and salts thereof. The external composition for skin comprises the one or more compounds selected from the group consisting of β-alanine derivatives and salts thereof as the above-mentioned parakeratosis inhibitor, pore-shrinking agent, or rough skin preventing/amaliorating agent.
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Page/Page column 23
(2008/06/13)
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- WRINKLE-IMPROVING AGENT
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The invention provides a novel wrinkle-improving agent that has an effect of improving wrinkles, that does not entail problems of safety or pain even when applied to the skin, and that contains a very safe substance as an active component. A discovery was made that N-benzoyl-β-alanine, other specific β-alanine derivatives, and salts thereof have a wrinkle-improving effect, whereby a wrinkle-improving agent containing as an active component one, two, or more types of compounds selected from the group composed of these specific β-alanine derivatives and the salts thereof was developed.
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Page/Page column 21
(2008/12/06)
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- The use of cellulose (chromatography paper) as a cheap, versatile and non-covalent support for organic molecules during multi-step synthesis
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Cellulose chromatography paper provides a novel non-covalent support for synthesis and in-situ purification of multi-dimensional arrays.
- Shanahan, Stephen E.,Byrne, Douglas D.,Inglis, Graham G. A.,Alam, Mahbub,Macdonald, Simon J. F.
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p. 2554 - 2555
(2007/10/03)
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- EFFECT OF STRUCTURE ON THE KINETICS AND MECHANISM OF THE ACID-CATALYZED DECOMPOSITION OF N-ALKYL-N-NITROBENZENESULFONAMIDES
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The decomposition rate of a series of meta- and para-substituted N-alkyl-N-nitrobenzenesufonamides was determined by a spectrophotometric method in aqueous sulfuric acid.It was shown that the decomposition of the compounds takes place both by denitration and by cleavage of the N-S bond with the formation fo primary aliphatic N-nitrosamines.Electron-withdrawing substituents in the aromatic ring shift the process toward denitration.
- Drozdova, O. A.,Astrat'ev, A. A.,Kuznetsov, L. L.,Selivanov, V. F.
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p. 671 - 675
(2007/10/02)
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