Ontology highlight
ABSTRACT:
SUBMITTER: Tambunan US
PROVIDER: S-EPMC4389116 | biostudies-literature | 2015 Apr
REPOSITORIES: biostudies-literature
Tambunan Usman Sumo Friend US Rachmania Rizky Archintya RA Parikesit Arli Aditya AA
Journal of biomedical research 20141212 2
This research focused on the modification of the functional groups of oseltamivir as neuraminidase inhibitor against influenza A virus subtype H1N1. Interactions of three of the best ligands were evaluated in the hydrated state using molecular dynamics simulation at two different temperatures. The docking result showed that AD3BF2D ligand (N-[(1S,6R)-5-amino-5-{[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl) tetrahydrofuran-2-yl]oxy}-4-formylcyclohex-3-en-1-yl]acetamide-3-(1-ethylpropoxy)-1-cyclohex ...[more]