Detalles de la búsqueda
1.
Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors.
Bioorg Med Chem
; 26(3): 647-660, 2018 02 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-29291937
2.
Multiscale enhanced sampling of glucokinase: Regulation of the enzymatic reaction via a large scale domain motion.
J Chem Phys
; 149(7): 072314, 2018 Aug 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-30134720
3.
Novel approach of fragment-based lead discovery applied to renin inhibitors.
Bioorg Med Chem
; 24(22): 6066-6074, 2016 11 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-27720325
4.
Two-dimensional replica-exchange method for predicting protein-ligand binding structures.
J Comput Chem
; 34(30): 2601-14, 2013 Nov 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-24006253
5.
Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors.
Bioorg Med Chem
; 21(8): 2250-2261, 2013 Apr 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-23490150
6.
Synthetic studies of centromere-associated protein-E (CENP-E) inhibitors: 1.Exploration of fused bicyclic core scaffolds using electrostatic potential map.
Bioorg Med Chem
; 21(17): 5488-502, 2013 Sep 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-23816042
7.
Structural analysis of the mechanism of inhibition and allosteric activation of the kinase domain of HER2 protein.
J Biol Chem
; 286(21): 18756-65, 2011 May 27.
Artículo
en Inglés
| MEDLINE | ID: mdl-21454582
8.
Design and synthesis of pyrrolo[3,2-d]pyrimidine HER2/EGFR dual inhibitors: improvement of the physicochemical and pharmacokinetic profiles for potent in vivo anti-tumor efficacy.
Bioorg Med Chem
; 20(20): 6171-80, 2012 Oct 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-22980219
9.
A new class of non-thiazolidinedione, non-carboxylic-acid-based highly selective peroxisome proliferator-activated receptor (PPAR) γ agonists: design and synthesis of benzylpyrazole acylsulfonamides.
Bioorg Med Chem
; 20(2): 714-33, 2012 Jan 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-22209730
10.
Structure-activity relationships and key structural feature of pyridyloxybenzene-acylsulfonamides as new, potent, and selective peroxisome proliferator-activated receptor (PPAR) γ Agonists.
Bioorg Med Chem
; 20(10): 3332-58, 2012 May 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-22503460
11.
Ab initio prediction of protein-ligand binding structures by replica-exchange umbrella sampling simulations.
J Comput Chem
; 32(13): 2810-21, 2011 Oct.
Artículo
en Inglés
| MEDLINE | ID: mdl-21710634
12.
17,20-lyase inhibitors. Part 4: design, synthesis and structure-activity relationships of naphthylmethylimidazole derivatives as novel 17,20-lyase inhibitors.
Bioorg Med Chem
; 19(5): 1751-70, 2011 Mar 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-21316976
13.
17,20-Lyase inhibitors. Part 3: Design, synthesis, and structure-activity relationships of biphenylylmethylimidazole derivatives as novel 17,20-lyase inhibitors.
Bioorg Med Chem
; 19(7): 2428-42, 2011 Apr 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-21429754
14.
Discovery of orteronel (TAK-700), a naphthylmethylimidazole derivative, as a highly selective 17,20-lyase inhibitor with potential utility in the treatment of prostate cancer.
Bioorg Med Chem
; 19(21): 6383-99, 2011 Nov 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-21978946
15.
Dependency of ligand free energy landscapes on charge parameters and solvent models.
J Comput Aided Mol Des
; 24(8): 699-712, 2010 Aug.
Artículo
en Inglés
| MEDLINE | ID: mdl-20495851
16.
Design, synthesis and structure-activity relationships of 1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta.
Bioorg Med Chem
; 17(5): 2017-29, 2009 Mar 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-19200745
17.
Cesium carbonate-catalyzed alpha-phenylchalcogenation of carbonyl compounds with diphenyl dichalcogenide.
Molecules
; 14(9): 3367-75, 2009 Sep 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-19783931
18.
Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1.
ChemMedChem
; 14(10): 1022-1030, 2019 05 17.
Artículo
en Inglés
| MEDLINE | ID: mdl-30945818
19.
Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]Pyridin-2-one-Based p38 MAP Kinase Inhibitors: Partâ 2.
ChemMedChem
; 14(24): 2093-2101, 2019 12 17.
Artículo
en Inglés
| MEDLINE | ID: mdl-31697454
20.
Discovery of imidazo[1,5-c]imidazol-3-ones: weakly basic, orally active factor Xa inhibitors.
J Med Chem
; 51(12): 3422-36, 2008 Jun 26.
Artículo
en Inglés
| MEDLINE | ID: mdl-18507371