Antifungal activity and biocompatibility assessment with molecular docking and dynamic simulations of new pyrazole derivatives
The study found that pyrazole 3b was the most effective antifungal agent. The compounds' strong binding energies with fungi proteins suggest potential drug development.
Authors
- Basma T. Abd-Elhalim (ORCID: https://orcid.org/0000-0002-3009-332X)
- Ghada G. El‐Bana (ORCID: https://orcid.org/0000-0002-3766-8202)
- Ahmed Fikry El-Sayed (ORCID: https://orcid.org/0000-0002-5312-4870)
- Ghada E. Abdel‐Ghani
Institutions
- Ain Shams University (EG)
- Mansoura University (EG)
- Mansoura University Hospital (EG)
- Egypt Center for Research and Regenerative Medicine (EG)
- National Research Centre (EG)
Publication Details
- Journal
- BMC Biotechnology
- Published
- 2025-02-06
- DOI
- https://doi.org/10.1186/s12896-025-00948-8
- Citations
- 10
- Primary Topic
- Synthesis and biological activity
- Type
- article
- Field-Weighted Citation Impact
- 9.36
Funders
- Ain Shams University
- Mansoura University
- Faculty of Agriculture, Ain Shams University