Detalles de la búsqueda
1.
Synthesis and in vitro cytotoxicity of benzoxazole-based PPARα/γ antagonists in colorectal cancer cell lines.
Arch Pharm (Weinheim)
; : e2400086, 2024 May 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-38807029
2.
Impairment of Nucleolin Activity and Phosphorylation by a Trachylobane Diterpene from Psiadia punctulata in Cancer Cells.
Int J Mol Sci
; 23(19)2022 Sep 27.
Artículo
en Inglés
| MEDLINE | ID: mdl-36232690
3.
Altered Local Interactions and Long-Range Communications in UK Variant (B.1.1.7) Spike Glycoprotein.
Int J Mol Sci
; 22(11)2021 May 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-34067272
4.
SARS-CoV-2 Entry Inhibitors: Small Molecules and Peptides Targeting Virus or Host Cells.
Int J Mol Sci
; 21(16)2020 Aug 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-32784899
5.
Computational Studies of SARS-CoV-2 3CLpro: Insights from MD Simulations.
Int J Mol Sci
; 21(15)2020 Jul 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-32731361
6.
APP Maturation and Intracellular Localization Are Controlled by a Specific Inhibitor of 37/67 kDa Laminin-1 Receptor in Neuronal Cells.
Int J Mol Sci
; 21(5)2020 Mar 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-32143270
7.
Binding Mode Exploration of B1 Receptor Antagonists' by the Use of Molecular Dynamics and Docking Simulation-How Different Target Engagement Can Determine Different Biological Effects.
Int J Mol Sci
; 21(20)2020 Oct 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-33081372
8.
"DompeKeys": a set of novel substructure-based descriptors for efficient chemical space mapping, development and structural interpretation of machine learning models, and indexing of large databases.
J Cheminform
; 16(1): 21, 2024 Feb 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-38395961
9.
A chemical modification of a peroxisome proliferator-activated receptor pan agonist produced a shift to a new dual alpha/gamma partial agonist endowed with mitochondrial pyruvate carrier inhibition and antidiabetic properties.
Eur J Med Chem
; 275: 116567, 2024 Jun 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-38865743
10.
New avenues in artificial-intelligence-assisted drug discovery.
Drug Discov Today
; 28(4): 103516, 2023 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-36736583
11.
Novel Reversible Inhibitors of Xanthine Oxidase Targeting the Active Site of the Enzyme.
Antioxidants (Basel)
; 12(4)2023 Mar 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-37107199
12.
Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur J Med Chem
; 253: 115311, 2023 May 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-37043904
13.
A New Antidiabetic Agent Showing Short- and Long-Term Effects Due to Peroxisome Proliferator-Activated Receptor Alpha/Gamma Dual Agonism and Mitochondrial Pyruvate Carrier Inhibition.
J Med Chem
; 66(5): 3566-3587, 2023 03 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-36790935
14.
In Silico Drug Design and Discovery: Big Data for Small Molecule Design.
Biomolecules
; 13(1)2022 12 26.
Artículo
en Inglés
| MEDLINE | ID: mdl-36671429
15.
Targeting SARS-CoV-2 Proteases and Polymerase for COVID-19 Treatment: State of the Art and Future Opportunities.
J Med Chem
; 65(4): 2716-2746, 2022 02 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-33186044
16.
In Silico Identification of Novel Inhibitors Targeting the Homodimeric Interface of Superoxide Dismutase from the Dental Pathogen Streptococcus mutans.
Antioxidants (Basel)
; 11(4)2022 Apr 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-35453470
17.
A chemoinformatics search for peroxisome proliferator-activated receptors ligands revealed a new pan-agonist able to reduce lipid accumulation and improve insulin sensitivity.
Eur J Med Chem
; 235: 114240, 2022 May 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-35325635
18.
Easy access to α-ketoamides as SARS-CoV-2 and MERS Mpro inhibitors via the PADAM oxidation route.
Eur J Med Chem
; 244: 114853, 2022 Dec 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-36332546
19.
"Molecular Anatomy": a new multi-dimensional hierarchical scaffold analysis tool.
J Cheminform
; 13: 54, 2021.
Artículo
en Inglés
| MEDLINE | ID: mdl-34301327
20.
A Series of Ferulic Acid Amides Reveals Unexpected Peroxiredoxin 1 Inhibitory Activity with inâ vivo Antidiabetic and Hypolipidemic Effects.
ChemMedChem
; 16(3): 484-498, 2021 02 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-33030290