School of Life and Medical Sciences, University of Hertfordshire, Hatfield, UK.
Health Data Sciences Research Group, Centre for Optimal Health, School of Life Sciences, College of Liberal Arts and Science, University of Westminster, London, UK.
Methods Mol Biol. 2024;2714:85-99. doi: 10.1007/978-1-0716-3441-7_4.
This chapter intends to provide a general overview of web-based resources available for antiviral drug discovery studies. First, we explain how the structure for a potential viral protein target can be obtained and then highlight some of the main considerations in preparing for the application of receptor-based molecular docking techniques. Thereafter, we discuss the resources to search for potential drug candidates (ligands) against this target protein receptor, how to screen them, and preparing their analogue library. We make specific reference to free, online, open-source tools and resources which can be applied for antiviral drug discovery studies.
本章旨在提供一个用于抗病毒药物发现研究的基于网络资源的概述。首先，我们解释如何获得潜在病毒蛋白靶标的结构，然后强调在准备应用基于受体的分子对接技术时的一些主要注意事项。此后，我们讨论了搜索针对该靶蛋白受体的潜在药物候选物（配体）的资源，以及如何对其进行筛选和准备它们的类似物文库。我们特别提到了可应用于抗病毒药物发现研究的免费、在线、开源工具和资源。
