A useful guide for medicinal chemists to design PknG inhibitors: structure-activity relationships, structural requirements and molecular dynamics simulations
:0.3 µM). These findings define a simple structure-based strategy for designing PknG inhibitors, providing a rule of thumb that, together with computational methods, may guide rational therapeutic development.
Authors
- Miguel Quiliano (ORCID: https://orcid.org/0000-0002-6777-2529)
- Roberto Alcántara (ORCID: https://orcid.org/0000-0003-2028-631X)
- Cintia A. Menéndez (ORCID: https://orcid.org/0000-0003-4085-5882)
- Alicia Arica-Sosa
- Leonardo J Monroy-Cruz
Institutions
- Peruvian University of Applied Sciences (PE)
- Consejo Nacional de Investigaciones Científicas y Técnicas (AR)
- Universidad Nacional del Sur (AR)
Publication Details
- Journal
- Journal of Biomolecular Structure and Dynamics
- Published
- 2026-04-30
- DOI
- https://doi.org/10.1080/07391102.2026.2660874
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Consejo Nacional de Ciencia, Tecnología e Innovación Tecnológica