RESUMO
Chemistry groups involved in drug discovery continue to devote their efforts to improving compound design with the aim of identifying new drug candidates. Many crucial factors must be considered, including: chemical stability, synthetic difficulty, chemical complexity and diversity, ADMET properties, cost, chemical novelty and intellectual property issues, and 'biological appropriateness'. With regard to the latter point, natural products offer an outstanding source of biologically active molecules that provide many useful features that enable us to design innovative, biologically biased, synthetic compounds. This article outlines the recent approaches in this area and suggests a simple metric to assess synthetic compounds for natural product likeness.
Assuntos
Desenho de Fármacos , Descoberta de Drogas/métodos , Preparações Farmacêuticas/síntese química , Produtos Biológicos/química , Produtos Biológicos/farmacologia , Estabilidade de Medicamentos , Humanos , Propriedade Intelectual , Preparações Farmacêuticas/química , Preparações Farmacêuticas/metabolismo , Bibliotecas de Moléculas PequenasRESUMO
The analysis of known drugs (Comprehensive Medicinal Chemistry database (2008 version): http://www.mdl.com/products/knowledge/medicinal_chem/index.jsp ) and natural products (Koch et al., Proc Natl Acad Sci USA 102:17272-17277, 2008) has led to the identification of privileged saturated and aromatic heterocyclic ring pairs that we have termed as "BioCores." This article explains how the BioCores can be used for the design of novel lead-like scaffolds.
