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Estrategias basadas en la estructura para el diseño y el descubrimiento de fármacos
1Department of Pharmaceutical Chemistry, School of Pharmacy, University of California, San Francisco 94143.
Science (New York, N.Y.)
|August 21, 1992
Resumen
El diseño de fármacos basado en la estructura utiliza estructuras moleculares y programas informáticos para crear nuevos medicamentos. Este enfoque está avanzando el desarrollo de agentes terapéuticos para enfermedades como el síndrome de inmunodeficiencia adquirida (SIDA) y la resistencia bacteriana a los medicamentos.
Área de la Ciencia:
- La bioquímica es la bioquímica.
- Química computacional es la química computacional.
- Descubrimiento de Drogas Descubrimiento de Drogas
Sus antecedentes:
- El descubrimiento tradicional de fármacos se basa en el cribado aleatorio o la comprensión de los receptores macromoleculares.
- Las estructuras moleculares de proteínas y ácidos nucleicos proporcionan información crucial para el diseño de fármacos.
Objetivo del estudio:
- Explorar la aplicación del diseño de fármacos basado en la estructura en el desarrollo de nuevos agentes terapéuticos.
- Para resaltar el papel de los métodos computacionales en conjunto con los datos estructurales para el desarrollo de fármacos.
- Investigar el potencial de este enfoque para el síndrome de inmunodeficiencia adquirida (SIDA) y la resistencia bacteriana a los medicamentos.
Principales métodos:
- Utilizando la determinación de la estructura molecular (por ejemplo, cristalografía de rayos X, espectroscopia de RMN).
- Empleando programas informáticos especializados para el diseño de fármacos in silico y la detección virtual.
- Implementación de ciclos de diseño iterados para la optimización de compuestos.
Principales resultados:
- Proposición exitosa de nuevos inhibidores de enzimas y agentes terapéuticos.
- Desarrollo de compuestos que han progresado a ensayos clínicos.
- Demostración de la sinergia entre la biología estructural y la química computacional.
Conclusiones:
- El diseño de fármacos basado en la estructura, que integra la determinación de la estructura molecular y la computación, es una herramienta poderosa para el desarrollo de fármacos modernos.
- Este enfoque integrado muestra una promesa significativa para abordar desafíos críticos de salud como el SIDA y la resistencia a los antibióticos.
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