Detalhe da pesquisa
1.
Evaluating Scalable Supervised Learning for Synthesize-on-Demand Chemical Libraries.
J Chem Inf Model
; 63(17): 5513-5528, 2023 09 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-37625010
2.
Discovery and Mechanism of Small Molecule Inhibitors Selective for the Chromatin-Binding Domains of Oncogenic UHRF1.
Biochemistry
; 61(5): 354-366, 2022 03 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-35143176
3.
Predicting kinase inhibitors using bioactivity matrix derived informer sets.
PLoS Comput Biol
; 15(8): e1006813, 2019 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-31381559
4.
Practical Model Selection for Prospective Virtual Screening.
J Chem Inf Model
; 59(1): 282-293, 2019 01 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-30500183
5.
Machine Learning Consensus Scoring Improves Performance Across Targets in Structure-Based Virtual Screening.
J Chem Inf Model
; 57(7): 1579-1590, 2017 07 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-28654262
6.
Isoform-selective inhibition of facilitative glucose transporters: elucidation of the molecular mechanism of HIV protease inhibitor binding.
J Biol Chem
; 289(23): 16100-13, 2014 Jun 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-24706759
7.
Structure-based discovery of small molecule hepsin and HGFA protease inhibitors: Evaluation of potency and selectivity derived from distinct binding pockets.
Bioorg Med Chem
; 23(10): 2328-43, 2015 May 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-25882520
8.
Small Molecule Antagonists of the DNA Repair ERCC1/XPA Protein-Protein Interaction.
ChemMedChem
; 19(8): e202300648, 2024 Apr 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-38300970
9.
The natural product dihydrotanshinone I provides a prototype for uncharged inhibitors that bind specifically to the acetylcholinesterase peripheral site with nanomolar affinity.
Biochemistry
; 52(42): 7486-99, 2013 Oct 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-24040835
10.
Piperidine carbamate peptidomimetic inhibitors of the serine proteases HGFA, matriptase and hepsin.
Medchemcomm
; 10(9): 1646-1655, 2019 Sep 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-31803403
11.
A general strategy for diversifying complex natural products to polycyclic scaffolds with medium-sized rings.
Nat Commun
; 10(1): 4015, 2019 09 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-31488839
12.
Identification of small molecule enzyme inhibitors as broad-spectrum anthelmintics.
Sci Rep
; 9(1): 9085, 2019 06 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-31235822
13.
Identification of a novel class of RIP1/RIP3 dual inhibitors that impede cell death and inflammation in mouse abdominal aortic aneurysm models.
Cell Death Dis
; 10(3): 226, 2019 03 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-30842407
14.
Identification of 4-Amino-Thieno[2,3-d]Pyrimidines as QcrB Inhibitors in Mycobacterium tuberculosis.
mSphere
; 4(5)2019 09 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-31511370
15.
A High-Throughput Screening Strategy to Identify Inhibitors of SSB Protein-Protein Interactions in an Academic Screening Facility.
SLAS Discov
; 23(1): 94-101, 2018 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-28570838
16.
Small Molecule Inhibitors of Metabolic Enzymes Repurposed as a New Class of Anthelmintics.
ACS Infect Dis
; 4(7): 1130-1145, 2018 07 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-29718656
17.
Characterization of parasite-specific indels and their proposed relevance for selective anthelminthic drug targeting.
Infect Genet Evol
; 39: 201-211, 2016 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-26829384
18.
α-Ketobenzothiazole Serine Protease Inhibitors of Aberrant HGF/c-MET and MSP/RON Kinase Pathway Signaling in Cancer.
ChemMedChem
; 11(6): 585-99, 2016 Mar 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-26889658
19.
Tumor-Specific Binding of Radiolabeled PEGylated GIRLRG Peptide: A Novel Agent for Targeting Cancers.
J Nucl Med
; 57(12): 1991-1997, 2016 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-27445290
20.
Hopeahainol A binds reversibly at the acetylcholinesterase (AChE) peripheral site and inhibits enzyme activity with a novel higher order concentration dependence.
Chem Biol Interact
; 259(Pt B): 78-84, 2016 Nov 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-27297626