Detalhe da pesquisa
1.
Application of empirical scalars to enable early prediction of human hepatic clearance using IVIVE in drug discovery: an evaluation of 173 drugs.
Drug Metab Dispos
; 2022 May 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-35636770
2.
Evaluation of Tissue Binding in Three Tissues across Five Species and Prediction of Volume of Distribution from Plasma Protein and Tissue Binding with an Existing Model.
Drug Metab Dispos
; 49(4): 330-336, 2021 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-33531412
3.
Advances in the study of drug metabolism - symposium report of the 12th Meeting of the International Society for the Study of Xenobiotics (ISSX).
Drug Metab Rev
; 52(3): 395-407, 2020 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-32456484
4.
Computational analysis of kinase inhibitor selectivity using structural knowledge.
Bioinformatics
; 35(2): 235-242, 2019 01 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-29985971
5.
Evaluating the Utility of Canine Mdr1 Knockout Madin-Darby Canine Kidney I Cells in Permeability Screening and Efflux Substrate Determination.
Mol Pharm
; 15(11): 5103-5113, 2018 11 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-30222362
6.
Comparing Mechanistic and Preclinical Predictions of Volume of Distribution on a Large Set of Drugs.
Pharm Res
; 35(4): 87, 2018 Mar 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-29520503
7.
Design, synthesis, and biological evaluation of pyrrolobenzodiazepine-containing hypoxia-activated prodrugs.
Bioorg Med Chem Lett
; 27(23): 5300-5304, 2017 12 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-29079474
8.
Correction to "Prediction of Fraction Unbound in Microsomal and Hepatocyte Incubations: A Comparison of Methods across Industry Datasets".
Mol Pharm
; 16(11): 4755, 2019 Nov 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-31596590
9.
Best of both worlds: on the complementarity of ligand-based and structure-based virtual screening.
J Chem Inf Model
; 54(6): 1634-41, 2014 Jun 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-24877883
10.
Balanced Permeability Index: A Multiparameter Index for Improved In Vitro Permeability.
ACS Med Chem Lett
; 15(4): 457-462, 2024 Apr 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-38628792
11.
Optimization of a Novel DEL Hit That Binds in the Cbl-b SH2 Domain and Blocks Substrate Binding.
ACS Med Chem Lett
; 15(6): 864-872, 2024 Jun 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-38894924
12.
PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J Med Chem
; 67(2): 1262-1313, 2024 Jan 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-38180485
13.
Development of Liposome Systems for Enhancing the PK Properties of Bivalent PROTACs.
Pharmaceutics
; 15(8)2023 Aug 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-37631312
14.
BDDCS class prediction for new molecular entities.
Mol Pharm
; 9(3): 570-80, 2012 Mar 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-22224483
15.
QSAR modeling and data mining link Torsades de Pointes risk to the interplay of extent of metabolism, active transport, and HERG liability.
Mol Pharm
; 9(8): 2290-301, 2012 Aug 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-22742658
16.
QSAR models for P-glycoprotein transport based on a highly consistent data set.
J Chem Inf Model
; 52(9): 2462-70, 2012 Sep 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-22946765
17.
When Cofactors Aren't X Factors: Functional Groups That Are Labile in Human Liver Microsomes in the Absence of NADPH.
ACS Med Chem Lett
; 13(4): 727-733, 2022 Apr 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-35450376
18.
Benchmarking Accuracy and Generalizability of Four Graph Neural Networks Using Large In Vitro ADME Datasets from Different Chemical Spaces.
Mol Inform
; 41(8): e2100321, 2022 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-35156325
19.
Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep
; 12(1): 18633, 2022 11 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-36329085
20.
Selective PROTAC-mediated degradation of SMARCA2 is efficacious in SMARCA4 mutant cancers.
Nat Commun
; 13(1): 6814, 2022 11 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-36357397