Pub. Date : 2019 Sep 10
PMID : 31506468
2 Functional Relationships(s)Download |
Sentence | Compound Name | Protein Name | Organism |
| 1 | Computational study of paroxetine-like inhibitors reveals new molecular insight to inhibit GRK2 with selectivity over ROCK1. | Paroxetine | G protein-coupled receptor kinase 2 | Homo sapiens |
| 2 | We have performed molecular docking, three dimensional quantitative structure activity relationship (3D-QSAR), molecular dynamics (MD) simulation, and free energy calculations techniques on a series of 53 paroxetine-like compounds to understand the structural properties desirable for enhancing the inhibitory activity for GRK2 with selectivity over ROCK1. | Paroxetine | G protein-coupled receptor kinase 2 | Homo sapiens |