Mutations in Penicillin G Acylase: A 4D QSAR-based Approach for Enhancing Efficacy of β-lactam Antibiotics
The study highlights the critical role of residue Phe148 in mediating stable interactions with Cefotaxime and other β-lactam substrates. The integrated computational strategy establishes a robust framework for engineering catalytically superior PGA variants, offering a valuable basis for further experimental validation and application in antibiotic biosynthesis.
Authors
- V. Shanthi (ORCID: https://orcid.org/0000-0003-2297-2751)
- R.G. Lalitha
Institutions
- Ramakrishna Mission Vidyamandira (IN)
- Vellore Institute of Technology University (IN)
Publication Details
- Journal
- Current Computer - Aided Drug Design
- Published
- 2025-10-27
- DOI
- https://doi.org/10.2174/0115734099353965251002075056
- Citations
- 1
- Primary Topic
- Enzyme Catalysis and Immobilization
- Type
- article
- Field-Weighted Citation Impact
- 0.81