A convenient method for the computer-aided molecular design of carborane containing compounds.
Bioorg Med Chem Lett
; 13(19): 3213-6, 2003 Oct 06.
Article
em En
| MEDLINE
| ID: mdl-12951095
ABSTRACT
Computer-aided molecular design (CAMD) of carborane containing compounds is of growing interest for scientists involved in boron neutron capture therapy (BNCT) and other pharmaceutical applications. However, the complex organo-metallic structures of carboranes pose difficulties in modeling and docking of these structures. This is the first report of a new strategy for modeling and docking of carborane containing molecules with the readily available software packages HyperChem, SYBYL and FlexX. It is intended as a guide for boron chemists interested in using CAMD of carborane containing agents for medical applications such as BNCT.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Boranos
/
Desenho Assistido por Computador
Idioma:
En
Ano de publicação:
2003
Tipo de documento:
Article