290353-57-0Relevant academic research and scientific papers
Thermodynamic parameters for binding of some halogenated inhibitors of human protein kinase CK2
Winiewska, Maria,Makowska, Malgorzata,Maj, Piotr,Wielechowska, Monika,Bretner, Maria,Poznaski, Jaroslaw,Shugar, David
, p. 282 - 287 (2015)
The interaction of human CK2α with a series of tetrabromobenzotriazole (TBBt) and tetrabromobenzimidazole (TBBz) analogs, in which one of the bromine atoms proximal to the triazole/imidazole ring is replaced by a methyl group, was studied by biochemical (IC50) and biophysical methods (thermal stability of protein-ligand complex monitored by DSC and fluorescence). Two newly synthesized tri-bromo derivatives display inhibitory activity comparable to that of the reference compounds, TBBt and TBBz, respectively. DSC analysis of the stability of protein-ligand complexes shows that the heat of ligand binding (Hbind) is driven by intermolecular electrostatic interactions involving the triazole/imidazole ring, as indicated by a strong correlation between Hbind and ligand pKa. Screening, based on fluorescence-monitored thermal unfolding of protein-ligand complexes, gave comparable results, clearly identifying ligands that most strongly bind to the protein. Overall results, additionally supported by molecular modeling, confirm that a balance of hydrophobic and electrostatic interactions contribute predominantly, relative to possible intermolecular halogen bonding, in binding of the ligands to the CK2α ATP-binding site.
Heterocyclic compound as well as preparation method and application thereof
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Paragraph 0035-0040, (2021/02/06)
The invention discloses an immune checkpoint inhibitor heterocyclic compound capable of blocking a VISTA signal path as well as a preparation method and application thereof. The compound is shown as aformula I which is described in the specification. The
SERINE/THREONINE PAK1 INHIBITORS
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Page/Page column 142, (2013/03/26)
Compounds having the formula I wherein A, Z, R1a, R1b, R2, R3, R4, R5, R6, R7, R9, R10, Ra, Rb and n are as defined herein are inhibitors of PAK1. Also disclosed are compositions and methods for treating cancer and hyperproliferative disorders.
HETEROCYCLIC BENZIMIDAZOLES AS TRPM8 MODULATORS
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Page/Page column 57-58, (2010/04/30)
Disclosed are compounds, compositions and methods for treating various diseases, syndromes, conditions and disorders, including pain. Such compounds are represented by Formula (I) as follows: wherein W1, W2, W3, R1/s
NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS
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Page/Page column 87, (2010/09/07)
This invention relates to novel compounds which are antagonists or inverse agonists at one or more of the opioid receptors, to pharmaceutical compositions containing them, to processes for their preparation, and to their use in therapy.
PROLYL HYDROXYLASE INHIBITORS
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Page/Page column 29-30, (2009/12/05)
The invention described herein relates to certain benzimidazol-4-ylcarboxamide derivatives of formula (I) which are antagonists of HIF prolyl hydroxylases and are useful for treating diseases benefiting from the inhibition of this enzyme, anemia being one
Regioselective synthesis of 4-halo ortho-dinitrobenzene derivatives
Mundla, Sreenivasa R.
, p. 4277 - 4279 (2007/10/03)
A novel method for the regioselective synthesis of 4-halo ortho- dinitrobenzene derivatives was developed by reacting various meta-halo nitrobenzenes with urea nitrate in concentrated sulfuric acid. (C) 2000 Elsevier Science Ltd.
