Detalhe da pesquisa
1.
Structure of the complement C5a receptor bound to the extra-helical antagonist NDT9513727.
Nature
; 553(7686): 111-114, 2018 01 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-29300009
2.
BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery.
J Chem Inf Model
; 58(2): 219-224, 2018 02 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-29338240
3.
Structure-based predictions of activity cliffs.
J Chem Inf Model
; 55(5): 1062-76, 2015 May 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-25918827
4.
Multitarget drug discovery for Alzheimer's disease: triazinones as BACE-1 and GSK-3ß inhibitors.
Angew Chem Int Ed Engl
; 54(5): 1578-82, 2015 Jan 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-25504761
5.
Addendum to BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery.
J Chem Inf Model
; 58(8): 1721, 2018 Aug 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-30074778
6.
Investigating the Unbinding of Muscarinic Antagonists from the Muscarinic 3 Receptor.
J Chem Theory Comput
; 19(15): 5260-5272, 2023 Aug 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-37458730
7.
Galantamine-memantine hybrids for Alzheimer's disease: The influence of linker rigidity in biological activity and pharmacokinetic properties.
Eur J Med Chem
; 261: 115803, 2023 Dec 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-37734258
8.
Combining dyad protonation and active site plasticity in BACE-1 structure-based drug design.
J Chem Inf Model
; 52(5): 1079-85, 2012 May 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-22313091
9.
Dopamine D3 receptor ligands: a patent review (2014-2020).
Expert Opin Ther Pat
; 32(6): 605-627, 2022 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-35235753
10.
The multitarget FAAH inhibitor/D3 partial agonist ARN15381 decreases nicotine self-administration in male rats.
Eur J Pharmacol
; 928: 175088, 2022 Aug 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-35690082
11.
SERAPhiC: a benchmark for in silico fragment-based drug design.
J Chem Inf Model
; 51(11): 2882-96, 2011 Nov 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-21936510
12.
Inflammation causes remodeling of mitochondrial cytochrome c oxidase mediated by the bifunctional gene C15orf48.
Sci Adv
; 7(50): eabl5182, 2021 Dec 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-34878835
13.
Discovery and SAR Evolution of Pyrazole Azabicyclo[3.2.1]octane Sulfonamides as a Novel Class of Non-Covalent N-Acylethanolamine-Hydrolyzing Acid Amidase (NAAA) Inhibitors for Oral Administration.
J Med Chem
; 64(18): 13327-13355, 2021 09 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-34469137
14.
Recipes for the selection of experimental protein conformations for virtual screening.
J Chem Inf Model
; 50(1): 186-93, 2010 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-20000587
15.
Multi-target dopamine D3 receptor modulators: Actionable knowledge for drug design from molecular dynamics and machine learning.
Eur J Med Chem
; 188: 111975, 2020 Feb 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-31940507
16.
Multitarget Compounds for Bipolar Disorder: From Rational Design to Preliminary Pharmacokinetic Evaluation.
ChemMedChem
; 15(11): 949-954, 2020 06 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-32267999
17.
Small molecule aurora kinases inhibitors.
Curr Med Chem
; 16(16): 1949-63, 2009.
Artigo
em Inglês
| MEDLINE | ID: mdl-19519375
18.
A Triazolotriazine-Based Dual GSK-3ß/CK-1δ Ligand as a Potential Neuroprotective Agent Presenting Two Different Mechanisms of Enzymatic Inhibition.
ChemMedChem
; 14(3): 310-314, 2019 02 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-30548443
19.
BACE-1 Inhibitors: From Recent Single-Target Molecules to Multitarget Compounds for Alzheimer's Disease.
J Med Chem
; 61(3): 619-637, 2018 02 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-28749667
20.
AClAP, Autonomous hierarchical agglomerative Cluster Analysis based protocol to partition conformational datasets.
Bioinformatics
; 22(14): e58-65, 2006 Jul 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-16873522