Detalles de la búsqueda
1.
Metadynamics Simulations Distinguish Short- and Long-Residence-Time Inhibitors of Cyclin-Dependent Kinase 8.
J Chem Inf Model
; 57(2): 159-169, 2017 02 27.
Artículo
en Inglés
| MEDLINE | ID: mdl-28080056
2.
Unbinding pathways of VEGFR2 inhibitors revealed by steered molecular dynamics.
J Chem Inf Model
; 54(11): 3124-36, 2014 Nov 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-25299731
3.
Discovery and Optimization of Pyridazinones as PI3Kδ Selective Inhibitors for Administration by Inhalation.
J Med Chem
; 2024 Jun 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-38907711
4.
Application of an "inhalation by design" approach to the identification and in-vitro evaluation of novel purine based PI3Kδ inhibitors.
Eur J Med Chem
; 254: 115331, 2023 Jun 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-37094451
5.
Discovery of a Potent, Selective, and Orally Bioavailable Tool Compound for Probing the Role of Lysophosphatidic Acid Type 2 Receptor Antagonists in Fibrotic Disorders.
J Med Chem
; 66(8): 5622-5656, 2023 04 27.
Artículo
en Inglés
| MEDLINE | ID: mdl-37017110
6.
Correction to Metadynamics Simulations Distinguish Short- and Long-Residence-Time Inhibitors of Cyclin-Dependent Kinase 8.
J Chem Inf Model
; 57(2): 386, 2017 02 27.
Artículo
en Inglés
| MEDLINE | ID: mdl-28151658
7.
Synthesis and biological activity of a novel class nicotinic acetylcholine receptors (nAChRs) ligands structurally related to anatoxin-a.
Bioorg Med Chem Lett
; 21(18): 5423-7, 2011 Sep 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-21824774
8.
Identification and characterization of novel NMDA receptor antagonists selective for NR2A- over NR2B-containing receptors.
J Pharmacol Exp Ther
; 335(3): 636-44, 2010 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-20810618
9.
Synthesis and pharmacological characterization of 5-phenyl-2-[2-(1-piperidinylcarbonyl)phenyl]-2,3-dihydro-1H-pyrrolo[1,2-c]imidazol-1-ones: a new class of Neuropeptide S antagonists.
Bioorg Med Chem Lett
; 20(24): 7308-11, 2010 Dec 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-21055936
10.
Identification of novel alpha7 nAChR positive allosteric modulators with the use of pharmacophore in silico screening methods.
Bioorg Med Chem Lett
; 20(15): 4561-5, 2010 Aug 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-20591663
11.
5-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}-2(1H)-quinolinones and 3,4-dihydro-2(1H)-quinolinones: dual-acting 5-HT1 receptor antagonists and serotonin reuptake inhibitors. Part 3.
Bioorg Med Chem Lett
; 20(23): 7092-6, 2010 Dec 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-20951584
12.
New fused benzazepine as selective D3 receptor antagonists. Synthesis and biological evaluation. Part 2: [g]-fused and hetero-fused systems.
Bioorg Med Chem Lett
; 18(3): 908-12, 2008 Feb 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-18178090
13.
New fused benzazepine as selective D3 receptor antagonists. Synthesis and biological evaluation. Part one: [h]-fused tricyclic systems.
Bioorg Med Chem Lett
; 18(3): 901-7, 2008 Feb 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-18248991
14.
Novel Pyrrolidine Derivatives of Budesonide as Long Acting Inhaled Corticosteroids for the Treatment of Pulmonary Inflammatory Diseases.
J Med Chem
; 61(11): 4757-4773, 2018 06 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-29741897
15.
1,2,4-triazol-3-yl-thiopropyl-tetrahydrobenzazepines: a series of potent and selective dopamine D(3) receptor antagonists.
J Med Chem
; 50(21): 5076-89, 2007 Oct 18.
Artículo
en Inglés
| MEDLINE | ID: mdl-17867665
16.
Atropisomerism and Conformational Equilibria: Impact on PI3Kδ Inhibition of 2-((6-Amino-9H-purin-9-yl)methyl)-5-methyl-3-(o-tolyl)quinazolin-4(3H)-one (IC87114) and Its Conformationally Restricted Analogs.
J Med Chem
; 60(10): 4304-4315, 2017 05 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-28489362
17.
A critical assessment of docking programs and scoring functions.
J Med Chem
; 49(20): 5912-31, 2006 Oct 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-17004707
18.
GLIMPSED: An Improved Docking Protocol for Cognate Docking.
Mol Inform
; 35(8-9): 350-7, 2016 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-27546039
19.
Second-generation mimics of ganglioside GM1 oligosaccharide: a three-dimensional view of their interactions with bacterial enterotoxins by NMR and computational methods.
Chemistry
; 8(20): 4597-612, 2002 Oct 18.
Artículo
en Inglés
| MEDLINE | ID: mdl-12362397
20.
3-Methyl pyrrole-2,4-dicarboxylic acid 2-propyl ester 4-(1,2,2-trimethyl-propyl) ester: an exploration of the C-2 position. Part I.
Farmaco
; 59(3): 175-83, 2004 Mar.
Artículo
en Inglés
| MEDLINE | ID: mdl-14987980