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Diseño de fármacos asistido por ordenador: Desarrollo de nuevas moléculas heterocíclicas

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Description

En este libro se describe la aplicación de métodos de diseño de fármacos asistidos por computadora para la identificación de nuevos inhibidores dirigidos a los receptores responsables de las enfermedades estudiadas. Después de sintetizar una variedad de análogos, se puede establecer una relación estructura-actividad (SAR), y el SAR se puede utilizar como guía para futuras síntesis y optimización. Las simulaciones por computadora de los complejos ligando-receptor también brindan información estructural sobre las interacciones, lo que permite que el proceso de optimización hit-to-lead sea impulsado racionalmente. Además, se realizaron la regla de cinco de Lipinski y la predicción ADMET para identificar nuevos inhibidores para los objetivos anteriores. Los compuestos líderes diseñados allanan el camino para el desarrollo de candidatos clínicos seguros y efectivos que algún día podrían usarse para tratar las enfermedades mencionadas anteriormente. Centraremos nuestra discusión en este libro en varios artículos científicos intrigantes publicados por nuestro grupo de investigación en una variedad de revistas internacionales.

Product Specifications

Format
paperback
Domain
Amazon UK
Release Date
27 July 2022
Listed Since
28 July 2022

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