Article
Improvement in predicting drug sensitivity changes associated with protein mutations using a molecular dynamics based alchemical mutation method.
Scientific reports - 7 Feb 2020
Ono Fumie, Chiba Shuntaro, Isaka Yuta, Matsumoto Shigeyuki, Ma Biao, Katayama Ryohei, Araki Mitsugu, Okuno Yasushi
Abstract excerpt
While molecular-targeted drugs have demonstrated strong therapeutic efficacy against diverse diseases such as cancer and infection, the appearance of drug resistance associated with genetic variations in individual patients or pathogens has severely limited their clinical efficacy. Therefore, precision medicine approaches based on the personal genomic background provide promising strategies to enhance the...
Topics
- Aldehyde Reductase
- Anaplastic Lymphoma Kinase
- Drug Resistance
- Enzyme Inhibitors
- Humans
- Molecular Docking Simulation
- Mutation
- Neuraminidase
- Sensitivity and Specificity