- Gyrase ATPase domain as an antitubercular drug discovery platform: Structure-based design and lead optimization of nitrothiazolyl carboxamide analogues
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In this study, we explored the pharmaceutically underexploited mycobacterial gyrase ATPase (GyrB) domain as a template for a structure-based virtual screening of our in-house (BITS Pilani) compound collection to discover new inhibitors targeting Mycobacterium tuberculosis (M.tb.) The hit identified was further customized by using a combination of molecular docking and medicinal chemistry strategies to obtain an optimized analogue displaying considerable in vitro enzyme efficacy and bactericidal properties against the M.tb. H 37Rv strain. The binding affinity of the ligand toward the GyrB domain was reascertained by differential scanning fluorimetry experiments. Further evaluation of the hERG toxicity (a major limitation among the previously reported N-linked aminopiperidine analogues) indicated these molecules to be completely devoid of cardiotoxicity, a significant achievement within this class.
- Jeankumar, Variam Ullas,Renuka, Janupally,Kotagiri, Sonali,Saxena, Shalini,Kakan, Shruti Singh,Sridevi, Jonnalagadda Padma,Yellanki, Swapna,Kulkarni, Pushkar,Yogeeswari, Perumal,Sriram, Dharmarajan
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- Nitrothiazole derivatives and hydrochloride thereof Application of sulfate in preparation of medicine for treating livestock intestinal infection
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The invention relates to the technical field of pharmaceutical chemistry, in particular to application of nitrothiazole derivatives and hydrochloride and sulfate thereof in preparation of drugs for treating livestock intestinal infections. Compared with chickens, pigs, sheep and deer bacterial enteritis, the synthesized nitrothiazole derivative has high biological activity, the treatment effect is remarkable, and the application value is high.
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Paragraph 0013; 0041; 0045-0046; 0049; 0052-0053; 0056;...
(2021/11/27)
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- Basic techniques of working on a solid phase: From ABC of the peptide synthesis to libraries of non-natural amino acids
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Libraries of hardly available amino acids bearing a heteroaromatic ring (2-pyrimidyl, substituted 2-pyridyl or 2-thiazolyl) at the amino group were prepared using solid-phase synthesis on various resins. The synthesized compounds are structurally similar to some known antidiabetic drugs. The paper combines features of a review (elementary introduction to the solid-phase synthesis methodology and technique for beginners and selected methods from peptide chemistry) and step-by-step experimental protocols (tested by the authors) useful as a methodic tool. The presented protocols (immobilization and modification of amino acids, placing and removal of common protective groups) require no sophisticated equipment and may be useful as pictorial introductory tasks for students education. Pleiades Publishing, Ltd., 2010.
- Babaev,Ermolat'ev
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experimental part
p. 2572 - 2589
(2011/04/15)
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- Thiazole compounds and methods of modulating signal transduction
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The present invention relates to thiazole containing compounds capable of inhibiting protein tyrosine phosphatase activity. The invention further relates to the use of such compounds to modulate or regulate signal transduction by inhibiting protein tyrosine phosphatase activity. Finally, the invention relates to the use of such compounds to treat various disease states including diabetes mellitus.
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- Pharmaceutical compositions and methods for modulating signal transduction
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The present invention relates to organic molecules capable of inhibiting protein tyrosine phosphatase activity. The invention further relates to the use of such molecules to modulate or regulate signal transduction by inhibiting protein tyrosine phosphatase activity. Finally, the invention relates to the use of such molecules to treat various disease states including diabetes mellitus.
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- Synthesis of a cumyl analogue in nitrothiazole series and S(RN)1 reaction at tertiary carbon
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A new alkylating agent, 2-(1-methyl-1-nitroethyl)-5-nitrothiazole, bearing a tertiary nitro nucleofuge, reacts with 2-nitropropane anion by S(RN)1 mechanism leading to the C-alkylation product.
- Gellis, Armand,Vanelle, Patrice,Maldonado, Jose,Crozet, Michel P.
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p. 2085 - 2086
(2007/10/03)
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- ORGANIC SYNTHESIS USING ORGANOSULFUR-NITRITES AND -NITRATES
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Thionitrites or thionitrates have been considered to be unstable.However, bulky groups' thio-NOn such as t-butylthio-nitrites and -nitrates have been readily synthesized and found to be stable enough for the use of the useful organic syntheses as an excellent nitrosation and diazotization reagents under mild conditions.Direct conversion of amines to the corresponding halides in the presence of copper halides (II), fluorination of heterocyclic amines in the presence of sodium tetrafluoroborate, α- oximation of methylene groups in ketones, facile cleavage of C=N bond to ketones, and desulfurization of thioacetals and thioketals, and other useful organic syntheses are described.
- Kim, Yong Hae
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p. 249 - 260
(2007/10/02)
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