Detalhe da pesquisa
1.
Systematic screening identifies ABCG2 as critical factor underlying synergy of kinase inhibitors with transcriptional CDK inhibitors.
Breast Cancer Res
; 25(1): 51, 2023 05 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-37147730
2.
Identifying Differences in the Performance of Machine Learning Models for Off-Targets Trained on Publicly Available and Proprietary Data Sets.
Chem Res Toxicol
; 36(8): 1300-1312, 2023 08 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-37439496
3.
Structural Insights into Neonicotinoids and N-Unsubstituted Metabolites on Human nAChRs by Molecular Docking, Dynamics Simulations, and Calcium Imaging.
Int J Mol Sci
; 24(17)2023 Aug 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-37685977
4.
A Structure-Based View on ABC-Transporter Linked to Multidrug Resistance.
Molecules
; 28(2)2023 Jan 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-36677553
5.
A widespread role for SLC transmembrane transporters in resistance to cytotoxic drugs.
Nat Chem Biol
; 16(4): 469-478, 2020 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-32152546
6.
Evaluation of the Success of High-Throughput Physiologically Based Pharmacokinetic (HT-PBPK) Modeling Predictions to Inform Early Drug Discovery.
Mol Pharm
; 19(7): 2203-2216, 2022 07 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-35476457
7.
Functional alterations by a subgroup of neonicotinoid pesticides in human dopaminergic neurons.
Arch Toxicol
; 95(6): 2081-2107, 2021 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-33778899
8.
Acute effects of the imidacloprid metabolite desnitro-imidacloprid on human nACh receptors relevant for neuronal signaling.
Arch Toxicol
; 95(12): 3695-3716, 2021 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-34628512
9.
Pharmacological Characterization of a Betaine/GABA Transporter 1 (BGT1) Inhibitor Displaying an Unusual Biphasic Inhibition Profile and Anti-seizure Effects.
Neurochem Res
; 45(7): 1551-1565, 2020 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-32248400
10.
Image Based Liver Toxicity Prediction.
J Chem Inf Model
; 60(3): 1111-1121, 2020 03 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-31978306
11.
Propafenone analogue with additional H-bond acceptor group shows increased inhibitory activity on P-glycoprotein.
Arch Pharm (Weinheim)
; 353(3): e1900269, 2020 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-31917466
12.
Predicting Residence Time and Drug Unbinding Pathway through Scaled Molecular Dynamics.
J Chem Inf Model
; 59(1): 535-549, 2019 01 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-30500211
13.
SAR-Guided Scoring Function and Mutational Validation Reveal the Binding Mode of CGS-8216 at the α1+/γ2- Benzodiazepine Site.
J Chem Inf Model
; 58(8): 1682-1696, 2018 08 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-30028134
14.
Comparing the performance of meta-classifiers-a case study on selected imbalanced data sets relevant for prediction of liver toxicity.
J Comput Aided Mol Des
; 32(5): 583-590, 2018 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-29626291
15.
Insights into the Structure, Function, and Ligand Discovery of the Large Neutral Amino Acid Transporter 1, LAT1.
Int J Mol Sci
; 19(5)2018 Apr 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-29695141
16.
Discovery of Potent Inhibitors for the Large Neutral Amino Acid Transporter 1 (LAT1) by Structure-Based Methods.
Int J Mol Sci
; 20(1)2018 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-30577601
17.
Predicting Drug-Induced Cholestasis with the Help of Hepatic Transporters-An in Silico Modeling Approach.
J Chem Inf Model
; 57(3): 608-615, 2017 03 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-28166633
18.
Structure based classification for bile salt export pump (BSEP) inhibitors using comparative structural modeling of human BSEP.
J Comput Aided Mol Des
; 31(6): 507-521, 2017 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-28527154
19.
Empowering pharmacoinformatics by linked life science data.
J Comput Aided Mol Des
; 31(3): 319-328, 2017 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-27830428
20.
Binding Mode Selection Determines the Action of Ecstasy Homologs at Monoamine Transporters.
Mol Pharmacol
; 89(1): 165-75, 2016 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-26519222