TY  - GEN
AU  - Murce,Erika
AU  - Cuya-Guizado,Teobaldo Ricardo
AU  - Padilla-Chavarria,Helmut Isaac
AU  - França,Tanos Celmar Costa
AU  - Pimentel,Andre Silva
TI  - Structure-based de novo design, molecular docking and molecular dynamics of primaquine analogues acting as quinone reductase II inhibitors
SN  - 1873-4243
PY  - 2016///1007
KW  - Catalytic Domain
KW  - Enzyme Inhibitors
KW  - chemistry
KW  - Humans
KW  - Hydrogen Bonding
KW  - Molecular Docking Simulation
KW  - Molecular Dynamics Simulation
KW  - Primaquine
KW  - analogs & derivatives
KW  - Protein Binding
KW  - Protein Structure, Secondary
KW  - Quinone Reductases
KW  - antagonists & inhibitors
KW  - Thermodynamics
N1  - Publication Type: Journal Article; Research Support, Non-U.S. Gov't
UR  - https://doi.org/10.1016/j.jmgm.2015.10.001
ER  -