41410-39-3Relevant articles and documents
Preparation method of triazine compound
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Paragraph 0007; 0025-0026, (2021/07/24)
The invention provides a preparation method of a 4-methyl-6-anilino 2-sulfydryl-1, 3, 5-triazine compound as shown in a formula (I) in the specification. The method comprises the following steps: adding sodium into methanol, adding a phenyl amidino thiour
Discovery of Novel Inhibitors Targeting Human O-GlcNAcase: Docking-Based Virtual Screening, Biological Evaluation, Structural Modification, and Molecular Dynamics Simulation
Dong, Lili,Shen, Shengqiang,Chen, Wei,Xu, Dongdong,Yang, Qing,Lu, Huizhe,Zhang, Jianjun
, (2019/10/11)
β-N-Acetylhexosaminidases have emerged as promising targets for drug and pesticide discovery due to their critical physiological functions in various cellular processes. In particular, human O-GlcNAcase (hOGA) from the glycoside hydrolase family 84 (GH84) has gained significant attention. This enzyme was found to be linked to various diseases such as diabetes, cancer, and Alzheimer's disease (AD). In this study, to develop novel hOGA inhibitors with suitable pharmaceutical properties, virtual screening of the Drugbank database was performed using a docking-based approach targeting hOGA. Chlorhexidine (4, Ki = 4.0 μM) was identified as a potent hOGA inhibitor with excellent selectivity (Ki > 200 μM against human β-N-acetylhexosaminidase B) and subjected to structural modifications and SAR studies. Furthermore, molecular dynamics simulations as well as binding free energy and free energy decomposition calculations were carried out to investigate the basis for the efficiency of potent inhibitors against hOGA. This present work revealed the new application of the disinfectant chlorhexidine and provided useful information for the future design of hOGA inhibitors.
Repurposing N,N'-bis-(arylamidino)-1,4-piperazinedicarboxamidines: An unexpected class of potent inhibitors of cholinesterases
Loesche, Anne,Wiese, Jana,Sommerwerk, Sven,Simon, Vivienne,Brandt, Wolfgang,Csuk, René
supporting information, p. 430 - 434 (2016/10/04)
Drug repurposing (=drug repositioning) is an effective way to cut costs for the development of new therapeutics and to reduce the time-to-market time-span. Following this concept a small library of compounds was screened for their ability to act as inhibitors of acetyl- and butyrylcholinesterase. Picloxydine, an established antiseptic, was shown to be an inhibitor for both enzymes. Systematic variation of the aryl substituents led to analogs possessing almost the same good properties as gold standard galantamine hydrobromide.
THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE
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Page/Page column 105, (2013/07/19)
Provided are compounds useful for treating cancer and methods of treating cancer comprising administering to a subject in need thereof a compound described herein.
The Synthesis of Aminoiminoethanenitriles, 5-Aminotetrazoles, N-Cyanoguanidines, and N-Hydroxyguanidines from Aminoiminomethanesulfonic Acids
Miller, Audrey E.,Feeney, Daniel J.,Ma, Yan,Zarcone, Lyn,Aziz, M. A.,Magnuson, E.
, p. 217 - 226 (2007/10/02)
Examples of the reactions of aminoiminomethanesulfonic acids with cyanide, azide, cyanamide and hydroxylamine as nucleophiles are reported.
