Detalhe da pesquisa
1.
Design, synthesis and antihypertensive evaluation of novel codrugs with combined angiotensin type 1 receptor antagonism and neprilysin inhibition.
Eur J Pharm Sci
; 159: 105731, 2021 Apr 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-33493668
2.
Discovery of ACH-000143: A Novel Potent and Peripherally Preferred Melatonin Receptor Agonist that Reduces Liver Triglycerides and Steatosis in Diet-Induced Obese Rats.
J Med Chem
; 64(4): 1904-1929, 2021 02 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-33626870
3.
Brain-wide mapping of c-fos expression in the single prolonged stress model and the effects of pretreatment with ACH-000029 or prazosin.
Neurobiol Stress
; 13: 100226, 2020 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-32478146
4.
Preclinical characterization of ACH-000029, a novel anxiolytic compound acting on serotonergic and alpha-adrenergic receptors.
Prog Neuropsychopharmacol Biol Psychiatry
; 95: 109707, 2019 12 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-31330215
5.
Descoberta de fármacos a partir de produtos naturais e a abordagem Molecular Power House (MPH) / Natural product-based drug discovery and the Molecular Power House (MPH) approach
Artigo
em Português
| Arca: Repositório institucional da Fiocruz | ID: arc-51653
6.
Investigation of the induced-fit mechanism and catalytic activity of the human cytomegalovirus protease homodimer via molecular dynamics simulations.
Proteins
; 52(4): 483-91, 2003 Sep 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-12910449
7.
Thrombin inhibition by novel benzamidine derivatives: a free-energy perturbation study.
J Med Chem
; 45(23): 4995-5004, 2002 Nov 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-12408710
8.
Human Cytomegalovirus Protease: Why is the Dimer Required for Catalytic Activity?
J Chem Theory Comput
; 3(1): 278-88, 2007 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-26627171
9.
Extension of the PDDG/PM3 Semiempirical Molecular Orbital Method to Sulfur, Silicon, and Phosphorus.
J Chem Theory Comput
; 1(5): 817-23, 2005.
Artigo
em Inglês
| MEDLINE | ID: mdl-19011692
10.
Effects of Arg90 Neutralization on the Enzyme-Catalyzed Rearrangement of Chorismate to Prephenate.
J Chem Theory Comput
; 1(4): 617-25, 2005 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-26641683
11.
Elucidation of fatty acid amide hydrolase inhibition by potent alpha-ketoheterocycle derivatives from Monte Carlo simulations.
J Am Chem Soc
; 127(49): 17377-84, 2005 Dec 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-16332087
12.
Macrophomate synthase: QM/MM simulations address the Diels-Alder versus Michael-Aldol reaction mechanism.
J Am Chem Soc
; 127(10): 3577-88, 2005 Mar 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-15755179
13.
Potential of mean force calculations on an L-type calcium channel model.
Protein Eng
; 16(3): 209-15, 2003 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-12702801
14.
Extension of the PDDG/PM3 and PDDG/MNDO semiempirical molecular orbital methods to the halogens.
J Comput Chem
; 25(1): 138-50, 2004 Jan 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-14635001
15.
A molecular dynamics study of an L-type calcium channel model.
Protein Eng
; 15(2): 109-22, 2002 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-11917147
16.
Investigation of solvent effects for the Claisen rearrangement of chorismate to prephenate: mechanistic interpretation via near attack conformations.
J Am Chem Soc
; 125(22): 6663-72, 2003 Jun 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-12769575
17.
Contributions of conformational compression and preferential transition state stabilization to the rate enhancement by chorismate mutase.
J Am Chem Soc
; 125(23): 6892-9, 2003 Jun 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-12783541
18.
Synthetic and theoretical studies on the reduction of electron withdrawing group conjugated olefins using the Hantzsch 1,4-dihydropyridine ester.
J Org Chem
; 68(23): 8815-22, 2003 Nov 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-14604349