Detalles de la búsqueda
1.
Identification of two novel chemical classes of Autotaxin (ATX) inhibitors using Enalos Asclepios KNIME nodes.
Bioorg Med Chem Lett
; 103: 129690, 2024 May 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-38447786
2.
Development of a Robust Read-Across Model for the Prediction of Biological Potency of Novel Peroxisome Proliferator-Activated Receptor Delta Agonists.
Int J Mol Sci
; 25(10)2024 May 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-38791255
3.
Discovery of the First-in-Class Inhibitors of Hypoxia Up-Regulated Proteinâ 1 (HYOU1) Suppressing Pathogenic Fibroblast Activation.
Angew Chem Int Ed Engl
; 63(14): e202319157, 2024 Apr 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-38339863
4.
A Systematic Review of Deep Learning Methodologies Used in the Drug Discovery Process with Emphasis on In Vivo Validation.
Int J Mol Sci
; 24(7)2023 Mar 31.
Artículo
en Inglés
| MEDLINE | ID: mdl-37047543
5.
Exploring the Binding Effects of Natural Products and Antihypertensive Drugs on SARS-CoV-2: An In Silico Investigation of Main Protease and Spike Protein.
Int J Mol Sci
; 24(21)2023 Nov 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-37958877
6.
Precision Medicine Approaches with Metabolomics and Artificial Intelligence.
Int J Mol Sci
; 23(19)2022 Sep 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-36232571
7.
In Silico Identification and Evaluation of Natural Products as Potential Tumor Necrosis Factor Function Inhibitors Using Advanced Enalos Asclepios KNIME Nodes.
Int J Mol Sci
; 22(19)2021 Sep 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-34638561
8.
Importance of Surface Topography in Both Biological Activity and Catalysis of Nanomaterials: Can Catalysis by Design Guide Safe by Design?
Int J Mol Sci
; 22(15)2021 Aug 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-34361117
9.
Advances in de Novo Drug Design: From Conventional to Machine Learning Methods.
Int J Mol Sci
; 22(4)2021 Feb 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-33562347
10.
Zeta-Potential Read-Across Model Utilizing Nanodescriptors Extracted via the NanoXtract Image Analysis Tool Available on the Enalos Nanoinformatics Cloud Platform.
Small
; 16(21): e1906588, 2020 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-32174008
11.
Development of Deep Learning Models for Predicting the Effects of Exposure to Engineered Nanomaterials on Daphnia magna.
Small
; 16(36): e2001080, 2020 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-32548897
12.
Risk Governance of Emerging Technologies Demonstrated in Terms of its Applicability to Nanomaterials.
Small
; 16(36): e2003303, 2020 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-32700469
13.
Synthesis of novel 2-pyrrolidinone and pyrrolidine derivatives and study of their inhibitory activity against autotaxin enzyme.
Bioorg Med Chem
; 28(2): 115216, 2020 01 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-31864778
14.
Computer-Aided Drug Design of ß-Secretase, γ-Secretase and Anti-Tau Inhibitors for the Discovery of Novel Alzheimer's Therapeutics.
Int J Mol Sci
; 21(3)2020 Jan 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-31973122
15.
Structure-Based Discovery of Novel Chemical Classes of Autotaxin Inhibitors.
Int J Mol Sci
; 21(19)2020 Sep 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-32977539
16.
Development and therapeutic potential of autotaxin small molecule inhibitors: From bench to advanced clinical trials.
Med Res Rev
; 39(3): 976-1013, 2019 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-30462853
17.
Cheminformatics-aided discovery of small-molecule Protein-Protein Interaction (PPI) dual inhibitors of Tumor Necrosis Factor (TNF) and Receptor Activator of NF-κB Ligand (RANKL).
PLoS Comput Biol
; 13(4): e1005372, 2017 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-28426652
18.
Exploiting ChEMBL database to identify indole analogs as HCV replication inhibitors.
Methods
; 71: 4-13, 2015 Jan.
Artículo
en Inglés
| MEDLINE | ID: mdl-24680700
19.
Searching for anthranilic acid-based thumb pocket 2 HCV NS5B polymerase inhibitors through a combination of molecular docking, 3D-QSAR and virtual screening.
J Enzyme Inhib Med Chem
; 31(1): 38-52, 2016.
Artículo
en Inglés
| MEDLINE | ID: mdl-26060939
20.
Stability and binding effects of silver(I) complexes at lipoxygenase-1.
J Enzyme Inhib Med Chem
; 30(4): 539-49, 2015.
Artículo
en Inglés
| MEDLINE | ID: mdl-25373502