Screening the Pandemic Response Box identifies novel ligands of the Staphylococcus aureus protein arginine kinase, McsB
Compounds MMV1593539 and MMV1782355 stabilised McsB in two thermal stability assays while returning the most favourable docking scores and retaining protein-ligand stability in molecular dynamics. These ligands signify promising candidates for future drug discovery efforts aimed at inhibiting or exploiting the protein arginine kinase, McsB.
Authors
- Rangini Chetty (ORCID: https://orcid.org/0000-0002-9280-1846)
- Sandile Mthembu (ORCID: https://orcid.org/0000-0002-8750-1822)
- Raymond Hewer (ORCID: https://orcid.org/0000-0002-6025-8826)
- Clinton G. L. Veale (ORCID: https://orcid.org/0000-0002-4043-7106)
- Alexandré Delport (ORCID: https://orcid.org/0000-0003-3511-4369)
Institutions
- University of Cape Town (ZA)
- University of KwaZulu-Natal (ZA)
Publication Details
- Journal
- Molecular Biology Reports
- Published
- 2025-05-06
- DOI
- https://doi.org/10.1007/s11033-025-10545-9
- Primary Topic
- Viral Infectious Diseases and Gene Expression in Insects
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- National Research Foundation
- South African Medical Research Council
- Inyuvesi Yakwazulu-Natali
- Center for High Performance Computing
- Medical Research Council