Computational modeling of cyclotides as antimicrobial agents against Neisseria gonorrhoeae PorB porin protein: integration of docking, immune, and molecular dynamics simulations
Globa D proved the best drug candidate against <i>Neisseria gonorrhoeae</i> by inhibiting PorB Porin protein chain A. Further <i>in vitro</i> and <i>in vivo</i> studies are recommended to validate these findings and explore clinical applications.
Authors
- Nazia Kanwal
- Nouman Safdar Ali (ORCID: https://orcid.org/0009-0001-1979-7166)
- Obaid Ullah (ORCID: https://orcid.org/0000-0002-2163-8578)
- Nimra Hanif
- Muzamal Hussain (ORCID: https://orcid.org/0009-0009-7892-9534)
- Alishba Jahangir
Institutions
- University of Central Punjab (PK)
- Superior University (PK)
- University of Agriculture Faisalabad (PK)
Publication Details
- Journal
- Frontiers in Chemistry
- Published
- 2024-11-25
- DOI
- https://doi.org/10.3389/fchem.2024.1493165
- Citations
- 19
- Primary Topic
- Biochemical and Structural Characterization
- Type
- article
- Field-Weighted Citation Impact
- 4.44