Article
Analysis of the binding modes of the first- and second-generation antiandrogens with respect to F876L mutation.
Chemical biology & drug design - 1 Jul 2021
Shao Guangfeng, Bao Jingxiao, Pan Xiaolin, He Xiao, Qi Yifei, Zhang John Z H
Abstract excerpt
Androgen receptor (AR) is an important target for the treatment of prostate cancer, and mutations in the AR have an important impact on the resistance of existing drugs. In this work, we performed molecular dynamics simulations of the existing marketed antiandrogens flutamide, nilutamide, bicalutamide, enzalutamide, apalutamide, darolutamide, and its main metabolite ORM15341 in complex with the wild-type and...
Topics
- Androgen Antagonists
- Androgen Receptor Antagonists
- Biomarkers, Tumor
- Flutamide
- Humans
- Imidazolidines
- Male
- Molecular Docking Simulation
- Molecular Dynamics Simulation
- Mutation
- Phenylthiohydantoin
- Protein Binding
- Protein Conformation
- Receptors, Androgen