Exploring the potential of Scabiosa columbaria in Alzheimer's disease treatment: An in silico approach
<i>S. columbaria</i> derivative compounds are promising drug candidates because of their properties, including the affinity of chlorogenic acid toward TACE and hydrogen bond enhancing ligand-receptor interactions. MD simulation indicated stable ligand-protein complexes, and the radius of gyration and MM-PBSA calculations revealed favorable binding and interaction energies. Our findings demonstrate the identified compounds' potential for further drug development.
Authors
- Riyan Alifbi Putera Irsal (ORCID: https://orcid.org/0000-0001-6271-5632)
- Gusnia Meilin Gholam (ORCID: https://orcid.org/0000-0001-7142-5856)
- Fernanda Chairunisa (ORCID: https://orcid.org/0009-0000-5043-012X)
- Maheswari Alfira Dwicesaria
- Tiyara F Mansyah
Institutions
- IPB University (ID)
- Bioinformatics Institute (RU)
- Bioinformatics Institute (SG)
- Nasional University (ID)
Publication Details
- Journal
- Journal of Taibah University Medical Sciences
- Published
- 2024-09-19
- DOI
- https://doi.org/10.1016/j.jtumed.2024.09.003
- Citations
- 1
- Primary Topic
- Cholinesterase and Neurodegenerative Diseases
- Type
- article
- Field-Weighted Citation Impact
- 0.45