Detalhe da pesquisa
1.
In Vitro Characterization and Rescue of VX Metabolism in Human Liver Microsomes.
Drug Metab Dispos
; 52(6): 574-579, 2024 May 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-38594080
2.
Machine learning-aided search for ligands of P2Y6 and other P2Y receptors.
Purinergic Signal
; 2024 Mar 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-38526670
3.
Sequential Contrastive and Deep Learning Models to Identify Selective Butyrylcholinesterase Inhibitors.
J Chem Inf Model
; 64(8): 3161-3172, 2024 Apr 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-38532612
4.
Human CYP2C19 Substrate and Inhibitor Characterization of Organophosphate Pesticides.
Chem Res Toxicol
; 36(9): 1451-1455, 2023 09 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-37650603
5.
Validation of Acetylcholinesterase Inhibition Machine Learning Models for Multiple Species.
Chem Res Toxicol
; 36(2): 188-201, 2023 02 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-36737043
6.
Preventing AI From Creating Biochemical Threats.
J Chem Inf Model
; 63(3): 691-694, 2023 02 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-36696568
7.
The protein disulfide isomerase inhibitor 3-methyltoxoflavin inhibits Chikungunya virus.
Bioorg Med Chem
; 83: 117239, 2023 04 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-36940609
8.
In silico ADME/tox comes of age: twenty years later.
Xenobiotica
; : 1-7, 2023 Aug 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-37539466
9.
Machine Learning Models Identify New Inhibitors for Human OATP1B1.
Mol Pharm
; 19(11): 4320-4332, 2022 11 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-36269563
10.
Machine Learning Models for Mycobacterium tuberculosisIn Vitro Activity: Prediction and Target Visualization.
Mol Pharm
; 19(2): 674-689, 2022 02 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-34964633
11.
Lack of an Effect of Polysorbate 80 on Intestinal Drug Permeability in Humans.
Pharm Res
; 39(8): 1881-1890, 2022 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-35672541
12.
Discovery of New Zika Protease and Polymerase Inhibitors through the Open Science Collaboration Project OpenZika.
J Chem Inf Model
; 62(24): 6825-6843, 2022 12 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-36239304
13.
Multiple approaches to repurposing drugs for neuroblastoma.
Bioorg Med Chem
; 73: 117043, 2022 11 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-36208544
14.
Chalcones from Angelica keiskei (ashitaba) inhibit key Zika virus replication proteins.
Bioorg Chem
; 120: 105649, 2022 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-35124513
15.
A critical overview of computational approaches employed for COVID-19 drug discovery.
Chem Soc Rev
; 50(16): 9121-9151, 2021 Aug 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-34212944
16.
Remdesivir and EIDD-1931 Interact with Human Equilibrative Nucleoside Transporters 1 and 2: Implications for Reaching SARS-CoV-2 Viral Sanctuary Sites.
Mol Pharmacol
; 100(6): 548-557, 2021 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-34503974
17.
Predicting Drug Interactions with Human Equilibrative Nucleoside Transporters 1 and 2 Using Functional Knockout Cell Lines and Bayesian Modeling.
Mol Pharmacol
; 99(2): 147-162, 2021 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-33262250
18.
UV-adVISor: Attention-Based Recurrent Neural Networks to Predict UV-Vis Spectra.
Anal Chem
; 93(48): 16076-16085, 2021 12 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-34812602
19.
Cationic Compounds with SARS-CoV-2 Antiviral Activity and Their Interaction with Organic Cation Transporter/Multidrug and Toxin Extruder Secretory Transporters.
J Pharmacol Exp Ther
; 379(1): 96-107, 2021 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-34253645
20.
Multiple Computational Approaches for Predicting Drug Interactions with Human Equilibrative Nucleoside Transporter 1.
Drug Metab Dispos
; 49(7): 479-489, 2021 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-33980604