Detalhe da pesquisa
1.
A machine learning-based quantitative model (LogBB_Pred) to predict the blood-brain barrier permeability (logBB value) of drug compounds.
Bioinformatics
; 39(10)2023 10 03.
Artigo
Inglês
| MEDLINE | ID: mdl-37713469
2.
A multi-layered network model identifies Akt1 as a common modulator of neurodegeneration.
Mol Syst Biol
; 19(12): e11801, 2023 Dec 06.
Artigo
Inglês
| MEDLINE | ID: mdl-37984409
3.
PredAOT: a computational framework for prediction of acute oral toxicity based on multiple random forest models.
BMC Bioinformatics
; 24(1): 66, 2023 Feb 24.
Artigo
Inglês
| MEDLINE | ID: mdl-36829107
4.
PredMS: a random forest model for predicting metabolic stability of drug candidates in human liver microsomes.
Bioinformatics
; 38(2): 364-368, 2022 01 03.
Artigo
Inglês
| MEDLINE | ID: mdl-34515778
5.
LightBBB: computational prediction model of blood-brain-barrier penetration based on LightGBM.
Bioinformatics
; 37(8): 1135-1139, 2021 05 23.
Artigo
Inglês
| MEDLINE | ID: mdl-33112379
6.
Identification and New Indication of Melanin-Concentrating Hormone Receptor 1 (MCHR1) Antagonist Derived from Machine Learning and Transcriptome-Based Drug Repositioning Approaches.
Int J Mol Sci
; 23(7)2022 Mar 30.
Artigo
Inglês
| MEDLINE | ID: mdl-35409167
7.
DeepHIT: a deep learning framework for prediction of hERG-induced cardiotoxicity.
Bioinformatics
; 36(10): 3049-3055, 2020 05 01.
Artigo
Inglês
| MEDLINE | ID: mdl-32022860
8.
Development of a FOXM1-DBD Binding Assay for High-Throughput Screening Using TR-FRET Assay.
Biol Pharm Bull
; 44(10): 1484-1491, 2021.
Artigo
Inglês
| MEDLINE | ID: mdl-34602556
9.
Computational determination of hERG-related cardiotoxicity of drug candidates.
BMC Bioinformatics
; 20(Suppl 10): 250, 2019 May 29.
Artigo
Inglês
| MEDLINE | ID: mdl-31138104
10.
Synthesis and SAR of 5-aryl-furan-2-carboxamide derivatives as potent urotensin-II receptor antagonists.
Bioorg Med Chem Lett
; 29(4): 577-580, 2019 02 15.
Artigo
Inglês
| MEDLINE | ID: mdl-30611618
11.
Optimization study towards more potent thiazolidine-2,4-dione IKK-ß modulator: Synthesis, biological evaluation and in silico docking simulation.
Bioorg Chem
; 92: 103261, 2019 11.
Artigo
Inglês
| MEDLINE | ID: mdl-31542718
12.
Development of a High-Throughput Assay for Inhibitors of the Polo-Box Domain of Polo-Like Kinase 1 Based on Time-Resolved Fluorescence Energy Transfer.
Biol Pharm Bull
; 40(9): 1454-1462, 2017.
Artigo
Inglês
| MEDLINE | ID: mdl-28867728
13.
A novel role of G protein-coupled receptor kinase 5 in urotensin II-stimulated cellular hypertrophy in H9c2UT cells.
Mol Cell Biochem
; 422(1-2): 151-160, 2016 Nov.
Artigo
Inglês
| MEDLINE | ID: mdl-27613164
14.
Benzo[b]thiophene-2-carboxamide derivatives as potent urotensin-II receptor antagonists.
Bioorg Med Chem Lett
; 26(19): 4684-4686, 2016 10 01.
Artigo
Inglês
| MEDLINE | ID: mdl-27597245
15.
A Dual Readout Assay Based on Fluorescence Polarization and Time-Resolved Fluorescence Resonance Energy Transfer to Screen for RSK1 Inhibitors.
Biol Pharm Bull
; 39(4): 547-55, 2016.
Artigo
Inglês
| MEDLINE | ID: mdl-27040627
16.
Synthesis and SAR of thieno[3,2-b]pyridinyl urea derivatives as urotensin-II receptor antagonists.
Bioorg Med Chem Lett
; 24(24): 5832-5835, 2014 Dec 15.
Artigo
Inglês
| MEDLINE | ID: mdl-25452001
17.
4-Substituted quinazoline derivatives as novel EphA2 receptor tyrosine kinase inhibitors.
Bioorg Med Chem Lett
; 24(17): 4080-3, 2014 Sep 01.
Artigo
Inglês
| MEDLINE | ID: mdl-25124116
18.
AnoChem: Prediction of chemical structural abnormalities based on machine learning models.
Comput Struct Biotechnol J
; 23: 2116-2121, 2024 Dec.
Artigo
Inglês
| MEDLINE | ID: mdl-38808129
19.
NUAK2 Inhibitors, KHKI-01128 and KHKI-01215, Exhibit Potent Anticancer Activity Against SW480 Colorectal Cancer Cells.
Anticancer Res
; 44(7): 2909-2919, 2024 Jul.
Artigo
Inglês
| MEDLINE | ID: mdl-38925848
20.
Kamolonol suppresses angiotensin II-induced stress fiber formation and cellular hypertrophy through inhibition of Rho-associated kinase 2 activity.
Biochem Biophys Res Commun
; 438(2): 318-23, 2013 Aug 23.
Artigo
Inglês
| MEDLINE | ID: mdl-23891689