Ontology highlight
ABSTRACT:
SUBMITTER: Vankayala SL
PROVIDER: S-EPMC3360818 | biostudies-literature | 2012 May
REPOSITORIES: biostudies-literature
Vankayala Sai Lakshmana SL Hargis Jacqueline C JC Woodcock H Lee HL
Journal of chemical information and modeling 20120509 5
Hydroxyurea is the only FDA approved treatment of sickle cell disease. It is believed that the primary mechanism of action is associated with the pharmacological elevation of nitric oxide in the blood; however, the exact details of this are still unclear. In the current work, we investigate the atomic level details of this process using a combination of flexible-ligand/flexible-receptor virtual screening coupled with energetic analysis that decomposes interaction energies. Utilizing these method ...[more]