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1.
N-Sulfonyl dipeptide nitriles as inhibitors of human cathepsin S: In silico design, synthesis and biochemical characterization.
Bioorg Med Chem Lett;
30(18): 127420, 2020 09 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-32763808
2.
Cathepsin B: Active site mapping with peptidic substrates and inhibitors.
Bioorg Med Chem;
27(1): 1-15, 2019 01 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-30473362
3.
Design of an Activity-Based Probe for Human Neutrophil Elastase: Implementation of the Lossen Rearrangement To Induce Förster Resonance Energy Transfers.
Biochemistry;
57(5): 742-752, 2018 02 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-29286643
4.
A Fluorescent-Labeled Phosphono Bisbenzguanidine As an Activity-Based Probe for Matriptase.
Chemistry;
23(22): 5205-5209, 2017 Apr 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-28370501
5.
Privileged Structural Motif Detection and Analysis Using Generative Topographic Maps.
J Chem Inf Model;
57(5): 1218-1232, 2017 05 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-28409625
6.
Evaluation of bisbenzamidines as inhibitors for matriptase-2.
Bioorg Med Chem Lett;
26(15): 3741-5, 2016 08 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-27287367
7.
Mapping the S1 and S1' subsites of cysteine proteases with new dipeptidyl nitrile inhibitors as trypanocidal agents.
PLoS Negl Trop Dis;
14(3): e0007755, 2020 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-32163418
8.
Promiscuous Ligands from Experimentally Determined Structures, Binding Conformations, and Protein Family-Dependent Interaction Hotspots.
ACS Omega;
4(1): 1729-1737, 2019 Jan 31.
Artículo
en Inglés
| MEDLINE | ID: mdl-31459430
9.
How Significant Are Unusual Protein-Ligand Interactions? Insights from Database Mining.
J Med Chem;
62(22): 10441-10455, 2019 11 27.
Artículo
en Inglés
| MEDLINE | ID: mdl-31730345
10.
Can Cysteine Protease Cross-Class Inhibitors Achieve Selectivity?
J Med Chem;
62(23): 10497-10525, 2019 12 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-31361135
11.
Series of screening compounds with high hit rates for the exploration of multi-target activities and assay interference.
Future Sci OA;
4(3): FSO279, 2018 Mar.
Artículo
en Inglés
| MEDLINE | ID: mdl-29568568
12.
X-ray-Structure-Based Identification of Compounds with Activity against Targets from Different Families and Generation of Templates for Multitarget Ligand Design.
ACS Omega;
3(1): 106-111, 2018 Jan 31.
Artículo
en Inglés
| MEDLINE | ID: mdl-30023769
13.
X-ray Structures of Target-Ligand Complexes Containing Compounds with Assay Interference Potential.
J Med Chem;
61(3): 1276-1284, 2018 02 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-29328660
14.
Machine Learning Distinguishes with High Accuracy between Pan-Assay Interference Compounds That Are Promiscuous or Represent Dark Chemical Matter.
J Med Chem;
61(22): 10255-10264, 2018 11 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-30422657
15.
Towards a systematic assessment of assay interference: Identification of extensively tested compounds with high assay promiscuity.
F1000Res;
62017.
Artículo
en Inglés
| MEDLINE | ID: mdl-28928939
16.
Structure-Promiscuity Relationship Puzzles-Extensively Assayed Analogs with Large Differences in Target Annotations.
AAPS J;
19(3): 856-864, 2017 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-28265982
17.
Highly Promiscuous Small Molecules from Biological Screening Assays Include Many Pan-Assay Interference Compounds but Also Candidates for Polypharmacology.
J Med Chem;
59(22): 10285-10290, 2016 11 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-27809519
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