IKKbeta inhibitors identification part II: ligand and structure-based virtual screening.

PubWeight™: 0.85‹?›

🔗 View Article (PMID 20488717)

Published in Bioorg Med Chem on April 18, 2010

Authors

Shanthi Nagarajan1, Hyunah Choo, Yong Seo Cho, Kwang-Seok Oh, Byung Ho Lee, Kye Jung Shin, Ae Nim Pae

Author Affiliations

1: Korea Institute of Science and Technology, Cheongryang, Seoul 130-650, Republic of Korea.

Articles by these authors

(E)-N-(3,3-Diphenyl-allyl-idene)-4-nitro-aniline. Acta Crystallogr Sect E Struct Rep Online (2012) 2.05

(E)-N-(3,3-Diphenyl-allyl-idene)-3-nitro-aniline. Acta Crystallogr Sect E Struct Rep Online (2012) 2.03

(E)-2,2'-[3-(2-Nitro-phen-yl)prop-2-ene-1,1-di-yl]bis-(3-hy-droxy-5,5-dimethyl-cyclo-hex-2-en-1-one). Acta Crystallogr Sect E Struct Rep Online (2011) 2.01

Antiviral activities and cellular toxicities of modified 2',3'-dideoxy-2',3'-didehydrocytidine analogues. Antimicrob Agents Chemother (2002) 1.79

2,2-[(E)-3,3-Diphenyl-prop-2-ene-1,1-di-yl]bis-(3-hy-droxy-cyclo-hex-2-en-1-one). Acta Crystallogr Sect E Struct Rep Online (2011) 1.56

3-Hy-droxy-2-[(2E)-1-(2-hy-droxy-6-oxocyclo-hex-1-en-1-yl)-3-(2-meth-oxy-phen-yl)prop-2-en-1-yl]cyclo-hex-2-en-1-one. Acta Crystallogr Sect E Struct Rep Online (2011) 1.54

2,2'-[(E)-3-(4-Nitro-phen-yl)prop-2-ene-1,1-di-yl]bis-(3-hy-droxy-5,5-dimethyl-cyclo-hex-2-en-1-one). Acta Crystallogr Sect E Struct Rep Online (2012) 1.28

9-[(E)-2-(2-Meth-oxy-phen-yl)ethen-yl]-3,4,5,6,7,9-hexa-hydro-2H-xanthene-1,8-dione. Acta Crystallogr Sect E Struct Rep Online (2012) 1.23

Hypoxic stress up-regulates the expression of Toll-like receptor 4 in macrophages via hypoxia-inducible factor. Immunology (2009) 1.20

A novel ceftazidime-hydrolysing extended-spectrum beta-lactamase, CTX-M-54, with a single amino acid substitution at position 167 in the omega loop. J Antimicrob Chemother (2006) 1.16

(E)-2,2'-[3-(4-Fluoro-phen-yl)prop-2-ene-1,1-di-yl]bis-(3-hy-droxy-5,5-dimethyl-cyclo-hex-2-en-1-one). Acta Crystallogr Sect E Struct Rep Online (2013) 1.16

(E)-3,3,6,6-Tetra-methyl-9-(2-nitro-styr-yl)-3,4,5,6,7,9-hexa-hydro-1H-xanthene-1,8(2H)-dione. Acta Crystallogr Sect E Struct Rep Online (2012) 1.11

(E)-N-[(E)-3-(4-Nitro-phen-yl)allyl-idene]naphthalen-1-amine. Acta Crystallogr Sect E Struct Rep Online (2013) 1.07

5- And 6-exocyclic products, cis-2,3,5-trisubstituted tetrahydrofurans, and cis-2,3,6-trisubstituted tetrahydropyrans via Prins-type cyclization. J Org Chem (2008) 1.06

(E)-9-(4-Chloro-styr-yl)-3,4,5,6,7,9-hexa-hydro-2H-xanthene-1,8-dione. Acta Crystallogr Sect E Struct Rep Online (2012) 1.06

(E)-2,2'-[3-(2-Nitro-phen-yl)prop-2-ene-1,1-di-yl]bis-(3-hy-droxy-cyclo-hex-2-en-1-one). Acta Crystallogr Sect E Struct Rep Online (2011) 1.02

L-nucleosides: antiviral activity and molecular mechanism. Curr Top Med Chem (2002) 0.99

Synthesis and biological evaluation of novel T-type Ca2+ channel blockers. Bioorg Med Chem (2004) 0.98

Synthesis and biological evaluations of pyrazolo[3,4-d]pyrimidines as cyclin-dependent kinase 2 inhibitors. Eur J Med Chem (2003) 0.95

Anti- and prooxidant effects of chronic quercetin administration in rats. Eur J Pharmacol (2003) 0.93

Novel GSK-3beta inhibitors from sequential virtual screening. Bioorg Med Chem (2007) 0.92

5-Exocyclic products, 2,3,5-trisubstituted tetrahydrofurans via Prins-type cyclization. Org Lett (2006) 0.92

Melanin-concentrating hormone-1 receptor antagonism and anti-obesity effects of ethanolic extract from Morus alba leaves in diet-induced obese mice. J Ethnopharmacol (2009) 0.92

(E)-2,2'-[3-(4-Chloro-phen-yl)prop-2-ene-1,1-di-yl]bis-(3-hy-droxy-5,5-di-methyl-cyclo-hex-2-en-1-one). Acta Crystallogr Sect E Struct Rep Online (2013) 0.92

(E)-9-(4-Fluoro-styr-yl)-3,3,6,6-tetra-methyl-3,4,5,6,7,9-hexa-hydro-2H-xanthene-1,8-dione. Acta Crystallogr Sect E Struct Rep Online (2013) 0.92

(5-Arylfuran-2-ylcarbonyl)guanidines as cardioprotectives through the inhibition of Na+/H+ exchanger isoform-1. J Med Chem (2005) 0.91

(E)-N-(3,3-Di-phenyl-allyl-idene)naph-thal-en-1-amine. Acta Crystallogr Sect E Struct Rep Online (2013) 0.91

[Diagnostic Usefulness of SD Malaria Antigen and Antibody Kits for Differential Diagnosis of vivax Malaria in Patients with Fever of Unknown Origin.]. Korean J Lab Med (2006) 0.91

Expression of liver X receptor correlates with intrahepatic inflammation and fibrosis in patients with nonalcoholic fatty liver disease. Dig Dis Sci (2014) 0.91

(E)-N-(3,3-Di-phenyl-allyl-idene)-2-(tri-fluoro-meth-yl)aniline. Acta Crystallogr Sect E Struct Rep Online (2013) 0.90

Inflammatory cytokines induce fibrosis and ossification of human ligamentum flavum cells. J Spinal Disord Tech (2013) 0.89

Highly stereoselective synthesis of 2,5-disubstituted 3-vinylidene tetetrahydrofurans via Prins-type cyclization. Org Lett (2005) 0.88

An approach to enhance specificity against RNA targets using heteroconjugates of aminoglycosides and chloramphenicol (or linezolid). J Am Chem Soc (2004) 0.87

Involvement of GADD153 and cardiac ankyrin repeat protein in cardiac ischemia-reperfusion injury. Exp Mol Med (2009) 0.87

Growth factors mobilize multiple pools of KCa channels in developing parasympathetic neurons: role of ADP-ribosylation factors and related proteins. J Neurophysiol (2005) 0.87

Prevalence of vitamin D deficiency in patients with lumbar spinal stenosis and its relationship with pain. Pain Physician (2013) 0.86

Novel quinazolinone derivatives as 5-HT7 receptor ligands. Bioorg Med Chem (2007) 0.86

Epigenetic regulation of cholinergic receptor M1 (CHRM1) by histone H3K9me3 impairs Ca(2+) signaling in Huntington's disease. Acta Neuropathol (2013) 0.86

Evidence for genistein mediated cytotoxicity and apoptosis in rat brain. Life Sci (2004) 0.86

Biomimetic asymmetric total synthesis of (-)-laurefucin via an organoselenium-mediated intramolecular hydroxyetherification. J Am Chem Soc (2008) 0.86

KST5468, a new T-type calcium channel antagonist, has an antinociceptive effect on inflammatory and neuropathic pain models. Pharmacol Biochem Behav (2010) 0.86

Changes in vitamin D status after surgery in female patients with lumbar spinal stenosis and its clinical significance. Spine (Phila Pa 1976) (2012) 0.85

Bis-styrylpyridine and bis-styrylbenzene derivatives as inhibitors for Abeta fibril formation. Bioorg Med Chem Lett (2006) 0.85

Arylpiperazine-containing pyrimidine 4-carboxamide derivatives targeting serotonin 5-HT(2A), 5-HT(2C), and the serotonin transporter as a potential antidepressant. Bioorg Med Chem Lett (2010) 0.85

Discovery and development of heat shock protein 90 inhibitors as anticancer agents: a review of patented potent geldanamycin derivatives. Expert Opin Ther Pat (2013) 0.84

Effects of KR-31378, a novel ATP-sensitive potassium channel activator, on hypertrophy of H9c2 cells and on cardiac dysfunction in rats with congestive heart failure. Eur J Pharmacol (2006) 0.84

Airway fire injury during rigid bronchoscopy in a patient with a silicon stent -A case report-. Korean J Anesthesiol (2012) 0.84

Synthesis of 3,4-dimethylidene oxacycles through Prins-type cyclization of allenylmethylsilanes. Chem Asian J (2011) 0.84

Long-term combined administration of quercetin and daidzein inhibits quercetin-induced suppression of glutathione antioxidant defenses. Food Chem Toxicol (2005) 0.83

Synthesis, structure-activity relationships, and mechanism of drug resistance of D- and L-beta-3'-fluoro-2',3'-unsaturated-4'-thionucleosides as anti-HIV agents. J Med Chem (2004) 0.83

A concise synthesis of tetrabenazine: an intramolecular aza-Prins-type cyclization via oxidative C-H activation. Org Lett (2011) 0.82

Synthesis and biological evaluation of novel T-type calcium channel blockers. Bioorg Med Chem Lett (2006) 0.82

A novel and orally active poly(ADP-ribose) polymerase inhibitor, KR-33889 [2-[methoxycarbonyl(4-methoxyphenyl) methylsulfanyl]-1H-benzimidazole-4-carboxylic acid amide], attenuates injury in in vitro model of cell death and in vivo model of cardiac ischemia. J Pharmacol Exp Ther (2008) 0.81

Novel pyrimidoazepine analogs as serotonin 5-HT(2A) and 5-HT(2C) receptor ligands for the treatment of obesity. Eur J Med Chem (2013) 0.81

Salvianolic acid A suppress lipopolysaccharide-induced NF-κB signaling pathway by targeting IKKβ. Int Immunopharmacol (2011) 0.81

Cardioselective anti-ischemic ATP-sensitive potassium channel (KATP) openers: benzopyranyl indoline and indole analogues. Eur J Med Chem (2003) 0.80

2,3,7,8-Tetrachlorodibenzo-p-dioxin (TCDD)-induced activation of mitogen-activated protein kinase signaling pathway in Jurkat T cells. Pharmacol Toxicol (2003) 0.80

[Clinical features of hepatocellular carcinoma in the 1990s]. Korean J Gastroenterol (2003) 0.80

Lead discovery and optimization of T-type calcium channel blockers. Bioorg Med Chem (2006) 0.80

IKKβ inhibitor identification: a multi-filter driven novel scaffold. BMC Bioinformatics (2010) 0.80

Stereoselective synthesis and antiviral activity of D-2',3'-didehydro-2',3'-dideoxy-2'-fluoro-4'-thionucleosides. J Med Chem (2002) 0.80

Facile synthesis and biological evaluation of 3,3-diphenylpropanoyl piperazines as T-type calcium channel blockers. Bioorg Med Chem Lett (2010) 0.80

Vasorelaxant effect of stilbenes from rhizome extract of rhubarb (Rheum undulatum) on the contractility of rat aorta. Phytother Res (2007) 0.80

In silico renal clearance model using classical Volsurf approach. J Chem Inf Model (2006) 0.80

In vitro solubility, stability and permeability of novel quercetin-amino acid conjugates. Bioorg Med Chem (2008) 0.80

A hybrid molecule that prohibits amyloid fibrils and alleviates neuronal toxicity induced by beta-amyloid (1-42). Biochem Biophys Res Commun (2005) 0.80

IKKbeta inhibitors identification part I: homology model assisted structure based virtual screening. Bioorg Med Chem (2009) 0.80

First pharmacophoric hypothesis for T-type calcium channel blockers. Bioorg Med Chem (2004) 0.80

External validation of the Acute Physiology and Chronic Health Evaluation II in Korean intensive care units. Yonsei Med J (2013) 0.80