Back

The Quest to Identify USP8 Inhibitors for Parkinsons Disease, a PAINful Experience.

Lang, S.; Bellany, F.; Lin, D.; Barrett, D. S.; Cartmill, K. R.; Fletcher, D. A.; Kerr, C.; Plater, A.; Forte, B.; Baragana, B.; Dixit, P.; Littleson, M. M.; Wheldon, M. C.; Gray, D. W.; Cunningham, F.

2023-09-07 pharmacology and toxicology
10.1101/2023.09.05.556294 bioRxiv
Show abstract

Pan Assay INterference compoundS (PAINS) are known to be a source of false positives in High Throughput Screening (HTS) campaigns. This has become a major problem in medicinal chemistry, often resulting in undesirable project outcomes and increased overall cost. Our recent campaign to identify inhibitors of USP8 that could be used in the treatment of Parkinsons disease identified several PAINS that worked via a variety of mechanisms. Herein, we discuss the process developed to identify not only the PAINS but also confirming the interference mechanism causing their activity. We found in this project that our USP8 assay was susceptible to multiple modes of interference, making it difficult to identify genuine hit molecules. O_FIG O_LINKSMALLFIG WIDTH=200 HEIGHT=132 SRC="FIGDIR/small/556294v1_ufig1.gif" ALT="Figure 1"> View larger version (17K): org.highwire.dtl.DTLVardef@b917a6org.highwire.dtl.DTLVardef@1bfac47org.highwire.dtl.DTLVardef@c78e1dorg.highwire.dtl.DTLVardef@1434fdd_HPS_FORMAT_FIGEXP M_FIG C_FIG

Matching journals

The top 6 journals account for 50% of the predicted probability mass.

1
ACS Medicinal Chemistry Letters
17 papers in training set
Top 0.1%
11.7%
2
ACS Pharmacology & Translational Science
40 papers in training set
Top 0.1%
10.4%
3
European Journal of Medicinal Chemistry
17 papers in training set
Top 0.1%
9.6%
4
ACS Omega
105 papers in training set
Top 0.1%
8.7%
5
Journal of Medicinal Chemistry
77 papers in training set
Top 0.2%
7.7%
6
ACS Chemical Biology
167 papers in training set
Top 0.6%
4.2%
50% of probability mass above
7
PLOS ONE
5266 papers in training set
Top 35%
4.0%
8
ChemMedChem
16 papers in training set
Top 0.1%
4.0%
9
Bioorganic & Medicinal Chemistry Letters
10 papers in training set
Top 0.1%
4.0%
10
SLAS Discovery
25 papers in training set
Top 0.1%
3.1%
11
Molecules
39 papers in training set
Top 0.4%
2.7%
12
ACS Infectious Diseases
82 papers in training set
Top 0.5%
2.7%
13
Scientific Reports
3612 papers in training set
Top 43%
2.4%
14
Chemical Research in Toxicology
10 papers in training set
Top 0.1%
2.4%
15
Pharmacology Research & Perspectives
11 papers in training set
Top 0.1%
2.4%
16
Journal of Natural Products
15 papers in training set
Top 0.1%
1.5%
17
Biochemistry
148 papers in training set
Top 2%
1.3%
18
Frontiers in Chemistry
16 papers in training set
Top 0.2%
1.1%
19
Frontiers in Pharmacology
111 papers in training set
Top 2%
1.0%
20
Angewandte Chemie International Edition
93 papers in training set
Top 2%
0.8%
21
International Journal of Molecular Sciences
494 papers in training set
Top 16%
0.8%
22
Molecular Pharmaceutics
16 papers in training set
Top 0.4%
0.8%
23
ACS Chemical Neuroscience
67 papers in training set
Top 2%
0.8%
24
Journal of Biological Chemistry
690 papers in training set
Top 10%
0.8%
25
ACS Central Science
71 papers in training set
Top 2%
0.6%