Back

Species Dependent Metabolism of a Covalent nsP2 Protease Inhibitor with in Vivo Anti-alphaviral Activity

Hossain, M. A.; Mayo, A. K.; Ghoshal, A.; Taft-Benz, S. A.; Anderson, E. J.; Morales, N. L.; Pressey, K. D.; Vargason, A. M.; Brouwer, K. L. R.; Moorman, N. J.; Heise, M. T.; Willson, T. M.

2025-01-16 pharmacology and toxicology
10.1101/2025.01.13.632788 bioRxiv
Show abstract

RA-0002034 (1) is a potent covalent inhibitor targeting the alphavirus nsP2 cysteine protease. The species-dependent pharmacokinetics and metabolism of 1 were investigated to evaluate its therapeutic potential. Pharmacokinetic profiling revealed rapid clearance in mice, predominantly mediated by glutathione S-transferase (GST)-catalyzed conjugation. This metabolic liability contrasted with slower clearance observed in human hepatocytes and preclinical species such as rats, dogs, and monkeys. Cross-species studies confirmed the dominance of GST-driven metabolism in mice, whereas oxidative pathways were more pronounced in dogs. Despite rapid systemic clearance, 1 achieved antiviral efficacy in mice, reducing CHIKV viral loads in multiple tissues. Initial estimations of human hepatic clearance and half-life extrapolated from animal data indicate that b.i.d. dosing of 1 will be possible to maintain concentrations sufficient for antiviral activity in humans. These cross-species pharmacokinetic and metabolism studies support the continued evaluation of 1 as a promising anti-alphaviral therapeutic. Graphical Abstract O_FIG O_LINKSMALLFIG WIDTH=200 HEIGHT=61 SRC="FIGDIR/small/632788v1_ufig1.gif" ALT="Figure 1"> View larger version (14K): org.highwire.dtl.DTLVardef@8c1558org.highwire.dtl.DTLVardef@cd7e21org.highwire.dtl.DTLVardef@113e88aorg.highwire.dtl.DTLVardef@7c7dc_HPS_FORMAT_FIGEXP M_FIG C_FIG

Matching journals

The top 8 journals account for 50% of the predicted probability mass.

1
The Journal of Pharmacology and Experimental Therapeutics
18 papers in training set
Top 0.1%
11.8%
2
Journal of Medicinal Chemistry
77 papers in training set
Top 0.1%
10.5%
3
Antimicrobial Agents and Chemotherapy
187 papers in training set
Top 0.3%
9.7%
4
Frontiers in Pharmacology
111 papers in training set
Top 0.3%
6.7%
5
Molecular Pharmaceutics
16 papers in training set
Top 0.1%
4.0%
6
ACS Pharmacology & Translational Science
40 papers in training set
Top 0.1%
4.0%
7
PLOS ONE
5266 papers in training set
Top 38%
3.2%
8
Journal of Antimicrobial Chemotherapy
46 papers in training set
Top 0.4%
3.2%
50% of probability mass above
9
Nature Communications
5641 papers in training set
Top 38%
2.7%
10
Clinical Pharmacology & Therapeutics
25 papers in training set
Top 0.1%
2.7%
11
Toxicological Sciences
41 papers in training set
Top 0.2%
2.7%
12
Pharmacology Research & Perspectives
11 papers in training set
Top 0.1%
2.4%
13
Biomedicine & Pharmacotherapy
42 papers in training set
Top 0.4%
2.4%
14
Archives of Toxicology
18 papers in training set
Top 0.1%
2.4%
15
Clinical and Translational Science
22 papers in training set
Top 0.2%
2.1%
16
Scientific Reports
3612 papers in training set
Top 48%
2.1%
17
Pharmaceutics
24 papers in training set
Top 0.4%
1.7%
18
Molecular Pharmacology
17 papers in training set
Top 0.1%
1.7%
19
International Journal of Antimicrobial Agents
15 papers in training set
Top 0.3%
1.1%
20
ACS Infectious Diseases
82 papers in training set
Top 1%
1.0%
21
Chemical Research in Toxicology
10 papers in training set
Top 0.3%
1.0%
22
eBioMedicine
183 papers in training set
Top 5%
1.0%
23
British Journal of Pharmacology
40 papers in training set
Top 0.9%
0.8%
24
International Journal of Molecular Sciences
494 papers in training set
Top 15%
0.8%
25
Journal of Controlled Release
44 papers in training set
Top 0.7%
0.8%
26
The FASEB Journal
194 papers in training set
Top 6%
0.8%
27
Molecules
39 papers in training set
Top 2%
0.6%
28
Communications Chemistry
48 papers in training set
Top 2%
0.6%
29
Malaria Journal
58 papers in training set
Top 1%
0.6%