Ivanov Alexis S, Veselovsky Alexander V, Dubanov Alexander V, Skvortsov Vladlen S
Institute of Biomedical Chemistry, RAMS, Moscow, Russia.
Methods Mol Biol. 2006;316:389-431. doi: 10.1385/1-59259-964-8:389.
In the past 10 yr, the field of bioinformatics has been characterized by the mapping of many genomes. These efforts have stimulated explosive development of novel bioinformatics and experimental approaches to predict the functions and metabolic role of the new proteins. The main application of the work is to search, validate, and prioritize new targets for designing a new generation of drugs. Modern computer and experimental methods for discovery of new lead compounds have also expanded and integrated into the process referred to as rational drug design. They are directed to accelerate and optimize the drug discovery process using experimental and virtual (computer-aided drug discovery) methods. Recently, these methods and approaches have merged into a "from gene to lead" platform that includes the processes from new target discovery through obtaining highly effective lead compounds. This chapter describes the strategies as employed by the "From Gene to Lead" platform, including the major computer and experimental approaches and their interrelationship. The latter part of the chapter contains some examples of the steps required for implementing this platform.
在过去的10年里,生物信息学领域的特点是对许多基因组进行了图谱绘制。这些努力推动了新型生物信息学和实验方法的迅猛发展,以预测新蛋白质的功能和代谢作用。这项工作的主要应用是搜索、验证新靶点并为其确定优先级,以便设计新一代药物。发现新先导化合物的现代计算机和实验方法也得到了扩展,并融入到所谓的合理药物设计过程中。它们旨在利用实验和虚拟(计算机辅助药物发现)方法加速并优化药物发现过程。最近,这些方法和途径已融合成一个“从基因到先导”的平台,该平台涵盖了从新靶点发现到获得高效先导化合物的各个过程。本章描述了“从基因到先导”平台所采用的策略,包括主要的计算机和实验方法及其相互关系。本章后半部分包含了实施该平台所需步骤的一些示例。