SARS-CoV-2 PLpro Inhibitor MR1-114 Design and Efficacy Data

MR1–114 is a potent, noncovalent inhibitor of the SARS-CoV-2 papain-like protease (PLpro). The dataset contains results from structure-based design, multiparameter optimization, and in vivo efficacy testing against variants like Delta and Omicron BA.5. The data was authored by Malla Reddy Gannarapu and published via figshare in March 2026.

Use Cases

• Analyze compound potency metrics like nanomolar IC50 values against SARS-CoV-2 variants.
• Compare ADME profile features such as solubility, permeability, and hepatocyte stability for lead optimization.
• Evaluate in vivo efficacy data, including lung enrichment levels and suppression of pulmonary viral replication in mouse models.
• Benchmark therapeutic outcomes like prevention of disease-associated weight loss against reference compounds.

Strengths

• Data includes specific potency measurements against multiple variants (Delta, Omicron BA.5).
• Reports concrete in vivo results from the K18-hACE2 mouse model, matching nirmatrelvir efficacy.

Limitations

• Dataset size is 2.0 KB, indicating a very limited scope likely summarizing key findings rather than raw experimental data.
• No column information or sample data is available, preventing detailed feature analysis or reproducibility.
• License is CC BY-NC 4.0, restricting commercial use of the data.

Provenance

Source

figshare

Collection Method

Structure-based design and experimental validation in vitro and in vivo.

Freshness

Last updated March 2026.