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1.
A Comparison of the Antibacterial Efficacy of Carbohydrate Lipid-like (Thio)Ether, Sulfone, and Ester Derivatives against Paenibacillus larvae.
Molecules;
28(6)2023 Mar 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-36985490
2.
Synthesis, α-mannosidase inhibition studies and molecular modeling of 1,4-imino-á´ -lyxitols and their C-5-altered N-arylalkyl derivatives.
Beilstein J Org Chem;
19: 282-293, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-36925565
3.
1,4-Dideoxy-1,4-imino-D- and L-lyxitol-based inhibitors bind to Golgi α-mannosidase II in different protonation forms.
Org Biomol Chem;
20(45): 8932-8943, 2022 11 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-36322142
4.
Synthesis of N-benzyl substituted 1,4-imino-l-lyxitols with a basic functional group as selective inhibitors of Golgi α-mannosidase IIb.
Bioorg Chem;
83: 424-431, 2019 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-30428432
5.
Theoretical study of enzymatic catalysis explains why the trapped covalent intermediate in the E303C mutant of glycosyltransferase GTB was not detected in the wild-type enzyme.
Glycobiology;
25(1): 3-7, 2015 Jan.
Artículo
en Inglés
| MEDLINE | ID: mdl-25138306
6.
A theoretical study on the catalytic mechanism of the retaining α-1,2-mannosyltransferase Kre2p/Mnt1p: the impact of different metal ions on catalysis.
Org Biomol Chem;
12(24): 4201-10, 2014 Jun 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-24831692
7.
Molecular Modeling Insights into the Structure and Behavior of Integrins: A Review.
Cells;
12(2)2023 01 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-36672259
8.
Theoretical prediction of pKa values of seleninic, selenenic, sulfinic, and carboxylic acids by quantum-chemical methods.
J Phys Chem A;
114(47): 12470-8, 2010 Dec 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-21050024
9.
N-Benzyl Substitution of Polyhydroxypyrrolidines: The Way to Selective Inhibitors of Golgi α-Mannosidaseâ II.
ChemMedChem;
13(4): 373-383, 2018 02 20.
Artículo
en Inglés
| MEDLINE | ID: mdl-29323461
10.
Using DFT methodology for more reliable predictive models: Design of inhibitors of Golgi α-Mannosidase II.
J Mol Graph Model;
66: 47-57, 2016 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-27035259
11.
'Click chemistry' synthesis of 1-(α-D-mannopyranosyl)-1,2,3-triazoles for inhibition of α-mannosidases.
Carbohydr Res;
406: 34-40, 2015 Apr 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-25658064
12.
PEGylated nanoparticles bind to and alter amyloid-beta peptide conformation: toward engineering of functional nanomedicines for Alzheimer's disease.
ACS Nano;
6(7): 5897-908, 2012 Jul 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-22686577
13.
Hybrid QM/MM Calculations on the First Redox Step of the Catalytic Cycle of Bovine Glutathione Peroxidase GPX1.
J Chem Theory Comput;
7(8): 2610-6, 2011 Aug 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-26606634
14.
α-D-mannose derivatives as models designed for selective inhibition of Golgi α-mannosidase II.
Eur J Med Chem;
46(3): 944-52, 2011 Mar.
Artículo
en Inglés
| MEDLINE | ID: mdl-21295890
15.
Theoretical Study on the Redox Cycle of Bovine Glutathione Peroxidase GPx1: pKa Calculations, Docking, and Molecular Dynamics Simulations.
J Chem Theory Comput;
6(5): 1670-81, 2010 May 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-26615699
16.
Theoretical study on the mechanism of a ring-opening reaction of oxirane by the active-site aspartic dyad of HIV-1 protease.
Org Biomol Chem;
6(2): 359-65, 2008 Jan 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-18175006
17.
A combined molecular dynamics simulation and quantum chemical study on the mechanism for activation of the OxyR transcription factor by hydrogen peroxide.
Org Biomol Chem;
4(18): 3468-78, 2006 Sep 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-17036142
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