Ontology highlight
ABSTRACT:
SUBMITTER: Cao DT
PROVIDER: S-EPMC9033662 | biostudies-literature | 2021 Jun
REPOSITORIES: biostudies-literature
Cao Duc Tuan DT Huong Doan Thi Mai TM Pham Van Cuong VC Minh Le Thi Hong TH Chae Jung-Woo JW Yun Hwi-Yeol HY Na Min-Kyun MK Kim Young-Ho YH Pham Minh Quan MQ Nguyen Van Hung VH
RSC advances 20210604 33
Heat shock protein 90 (Hsp90) is one of the most potential targets in cancer therapy. We have demonstrated using a combination of molecular docking and fast pulling of ligand (FPL) simulations that marine fungi derivatives can be possible inhibitors, preventing the biological activity of Hsp90. The computational approaches were validated and compared with previous experiments. Based on the benchmark of available inhibitors of Hsp90, the GOLD docking package using the ChemPLP scoring function was ...[more]