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1.
Characterization of K562 cells: uncovering novel chromosomes, assessing transferrin receptor expression, and probing pharmacological therapies.
Cell Mol Life Sci
; 80(9): 248, 2023 Aug 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-37578596
2.
Identification and Evaluation of Olive Phenolics in the Context of Amine Oxidase Enzyme Inhibition and Depression: In Silico Modelling and In Vitro Validation.
Molecules
; 29(11)2024 May 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-38893322
3.
Sulforaphane prevents and reverses allergic airways disease in mice via anti-inflammatory, antioxidant, and epigenetic mechanisms.
Cell Mol Life Sci
; 79(11): 579, 2022 Nov 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-36319916
4.
Identification of Potential Modulators of a Pathogenic G Protein-Gated Inwardly Rectifying K+ Channel 4 Mutant: In Silico Investigation in the Context of Drug Discovery for Hypertension.
Molecules
; 28(24)2023 Dec 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-38138436
5.
Investigation of small molecule inhibitors of the SARS-CoV-2 papain-like protease by all-atom microsecond modelling, PELE Monte Carlo simulations, and in vitro activity inhibition.
Chem Phys Lett
; 788: 139294, 2022 Feb 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-34961797
6.
In silico investigation of DNA minor groove binding bibenzimidazoles in the context of UVA phototherapy.
Phys Chem Chem Phys
; 24(1): 112-121, 2021 Dec 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-34889929
7.
In silico investigation of potential small molecule inhibitors of the SARS-CoV-2 nsp10-nsp16 methyltransferase complex.
Chem Phys Lett
; 774: 138618, 2021 Jul.
Artículo
en Inglés
| MEDLINE | ID: mdl-33850334
8.
Inhibition of interferon-stimulated gene 15 and lysine 48-linked ubiquitin binding to the SARS-CoV-2 papain-like protease by small molecules: In silico studies.
Chem Phys Lett
; 771: 138468, 2021 May 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-33716308
9.
In silico investigation to identify potential small molecule inhibitors of the RNA-dependent RNA polymerase (RdRp) nidovirus RdRp-associated nucleotidyltransferase domain.
Chem Phys Lett
; 779: 138889, 2021 Sep 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-34305155
10.
The cellular and molecular basis of major depressive disorder: towards a unified model for understanding clinical depression.
Mol Biol Rep
; 47(1): 753-770, 2020 Jan.
Artículo
en Inglés
| MEDLINE | ID: mdl-31612411
11.
Set7 Methyltransferase and Phenotypic Switch in Diabetic Glomerular Endothelial Cells.
J Am Soc Nephrol
; 35(6): 733-748, 2024 Jun 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-38630537
12.
A repository of COVID-19 related molecular dynamics simulations and utilisation in the context of nsp10-nsp16 antivirals.
J Mol Graph Model
; 126: 108666, 2024 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-37976980
13.
Utilization of the EpiMed Coronabank Chemical Collection to identify potential SARS-CoV-2 antivirals: in silico studies targeting the nsp14 ExoN domain and PLpro naphthalene binding site.
J Mol Graph Model
; 131: 108803, 2024 May 26.
Artículo
en Inglés
| MEDLINE | ID: mdl-38815531
14.
γH2AX in mouse embryonic stem cells: Distribution during differentiation and following γ-irradiation.
Cells Dev
; 177: 203882, 2024 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-37956740
15.
Chronicling the 3-year evolution of the COVID-19 pandemic: analysis of disease management, characteristics of major variants, and impacts on pathogenicity.
Clin Exp Med
; 23(7): 3277-3298, 2023 Nov.
Artículo
en Inglés
| MEDLINE | ID: mdl-37615803
16.
Identification of dietary compounds that interact with the circadian clock machinery: Molecular docking and structural similarity analysis.
J Mol Graph Model
; 123: 108529, 2023 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-37263157
17.
EpiMed Coronabank Chemical Collection: Compound selection, ADMET analysis, and utilisation in the context of potential SARS-CoV-2 antivirals.
J Mol Graph Model
; 125: 108602, 2023 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-37597309
18.
The SARS-CoV-2 helicase as a target for antiviral therapy: Identification of potential small molecule inhibitors by in silico modelling.
J Mol Graph Model
; 114: 108193, 2022 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-35462185
19.
Small molecule interactions with the SARS-CoV-2 main protease: In silico all-atom microsecond MD simulations, PELE Monte Carlo simulations, and determination of in vitro activity inhibition.
J Mol Graph Model
; 110: 108050, 2022 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-34655918
20.
Molecular dynamics simulations highlight the altered binding landscape at the spike-ACE2 interface between the Delta and Omicron variants compared to the SARS-CoV-2 original strain.
Comput Biol Med
; 149: 106035, 2022 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-36055162