Prediction of new C-terminal Hsp90 inhibitors based on deguelin scaffold: homology modeling, virtual screening, QM/MM docking, MM/GBSA, and molecular dynamics simulations
The compound CID_14018348 was identified as the most promising candidate through computational techniques; therefore, the computational methods outlined can be applied in the development of potent anticancer agents.
Authors
- Gholamreza Farshidfar (ORCID: https://orcid.org/0000-0002-0164-230X)
- Maryam Abbasi (ORCID: https://orcid.org/0000-0002-3022-2507)
- Setareh Talaei
Institutions
- Hormozgan University of Medical Sciences (IR)
Publication Details
- Journal
- Research in Pharmaceutical Sciences
- Published
- 2025-11-01
- DOI
- https://doi.org/10.4103/rps.rps_219_24
- Citations
- 1
- Primary Topic
- Heat shock proteins research
- Type
- article
- Field-Weighted Citation Impact
- 0.81