Detalles de la búsqueda
1.
PharmaCore: The Automatic Generation of 3D Structure-Based Pharmacophore Models from Protein/Ligand Complexes.
J Chem Inf Model
; 64(10): 4263-4276, 2024 May 27.
Artículo
en Inglés
| MEDLINE | ID: mdl-38728062
2.
Chemoproteomics Reveals USP5 (Ubiquitin Carboxyl-Terminal Hydrolase 5) as Promising Target of the Marine Polyketide Gracilioether A.
Mar Drugs
; 22(1)2024 Jan 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-38248666
3.
Fatty Acid Synthase as Interacting Anticancer Target of the Terpenoid Myrianthic Acid Disclosed by MS-Based Proteomics Approaches.
Int J Mol Sci
; 25(11)2024 May 29.
Artículo
en Inglés
| MEDLINE | ID: mdl-38892106
4.
Target identification by structure-based computational approaches: Recent advances and perspectives.
Bioorg Med Chem Lett
; 83: 129171, 2023 03 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-36739998
5.
2-Substituted 1,5-benzothiazepine-based HDAC inhibitors exert anticancer activities on human solid and acute myeloid leukemia cell lines.
Bioorg Med Chem
; 93: 117444, 2023 10 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-37611334
6.
A Classic Photochemical Approach Inducing an Unexpected Rearrangement: Exploring the Photoreactivity of Pentacyclic Triterpenic Acids.
J Nat Prod
; 86(4): 1025-1032, 2023 04 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-37036806
7.
Exploring the chemical space of functionalized [1,2,4]triazolo[4,3-a]quinoxaline-based compounds targeting the bromodomain of BRD9.
Bioorg Chem
; 139: 106677, 2023 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-37352721
8.
Introducing structure-based three-dimensional pharmacophore models for accelerating the discovery of selective BRD9 binders.
Bioorg Chem
; 118: 105480, 2022 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-34823196
9.
Structural Refinement of 2,4-Thiazolidinedione Derivatives as New Anticancer Agents Able to Modulate the BAG3 Protein.
Molecules
; 27(3)2022 Jan 20.
Artículo
en Inglés
| MEDLINE | ID: mdl-35163936
10.
Repositioning of Quinazolinedione-Based Compounds on Soluble Epoxide Hydrolase (sEH) through 3D Structure-Based Pharmacophore Model-Driven Investigation.
Molecules
; 27(12)2022 Jun 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-35744994
11.
Giffonins, Antioxidant Diarylheptanoids from Corylus avellana, and Their Ability to Prevent Oxidative Changes in Human Plasma Proteins.
J Nat Prod
; 84(3): 646-653, 2021 03 26.
Artículo
en Inglés
| MEDLINE | ID: mdl-33616390
12.
Inverse Virtual Screening for the rapid re-evaluation of the presumed biological safe profile of natural products. The case of steviol from Stevia rebaudiana glycosides on farnesoid X receptor (FXR).
Bioorg Chem
; 111: 104897, 2021 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-33901797
13.
Neurally adjusted ventilatory assist preserves cerebral blood flow velocity in patients recovering from acute brain injury.
J Clin Monit Comput
; 35(3): 627-636, 2021 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-32388653
14.
Insights into the Ligand Binding to Bromodomain-Containing Protein 9 (BRD9): A Guide to the Selection of Potential Binders by Computational Methods.
Molecules
; 26(23)2021 Nov 27.
Artículo
en Inglés
| MEDLINE | ID: mdl-34885774
15.
Mechanical Ventilation Guided by Uncalibrated Esophageal Pressure May Be Potentially Harmful.
Anesthesiology
; 133(1): 145-153, 2020 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-32349074
16.
DFT/NMR Approach for the Configuration Assignment of Groups of Stereoisomers by the Combination and Comparison of Experimental and Predicted Sets of Data.
J Org Chem
; 85(5): 3297-3306, 2020 03 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-31961156
17.
Discovery of noscapine derivatives as potential ß-tubulin inhibitors.
Bioorg Med Chem Lett
; 30(20): 127489, 2020 10 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-32784088
18.
Oesophageal balloon calibration during pressure support ventilation: a proof of concept study.
J Clin Monit Comput
; 34(6): 1223-1231, 2020 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-31792760
19.
Protein Preparation Automatic Protocol for High-Throughput Inverse Virtual Screening: Accelerating the Target Identification by Computational Methods.
J Chem Inf Model
; 59(11): 4678-4690, 2019 11 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-31593460
20.
Immunomodulatory Biscembranoids and Assignment of Their Relative and Absolute Configurations: Data Set Modulation in the Density Functional Theory/Nuclear Magnetic Resonance Approach.
J Nat Prod
; 82(5): 1264-1273, 2019 05 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-30957492