抗病毒药物标识和连接体发现
Hershna Patel1, Dipankar Sengupta2
1School of Life and Medical Sciences, University of Hertfordshire, Hatfield, UK. h.patel28@herts.ac.uk.
Methods in molecular biology (Clifton, N.J.)
|September 7, 2023
概括
本章指导抗病毒药物发现,详细介绍获取病毒蛋白结构和使用分子对接的网络资源. 它涵盖了用免费的开源工具搜索,选和图书馆准备的连接体.
科学领域:
- 计算化学是一种计算化学.
- 药物发现 药物发现
- 生物信息学是一种生物信息学.
背景情况:
- 抗病毒药物发现依赖于识别和验证病毒蛋白标.
- 分子对接是预测药物标相互作用的关键计算技术.
- 访问专门的网络资源对于高效的药物发现工作流程至关重要.
研究的目的:
- 提供针对抗病毒药物发现的基于网络的资源的全面概述.
- 引导研究人员利用计算工具来识别潜在的抗病毒药物.
- 为药物发现的各个阶段突出展示免费的,在线的,开源资源.
主要方法:
- 解释获取病毒蛋白标结构的方法.
- 基于受体的分子对接的详细考虑.
- 讨论有关联体搜索,选和模拟库准备的资源.
主要成果:
- 针对抗病毒药物发现过程的每个步骤,确定基于网络的关键资源.
- 强调免费,在线和开源工具的实用性.
- 关于应用分子对接技术的实用指南.
结论:
- 基于网络的资源大大促进了抗病毒药物的发现.
- 免费和开源工具为研究人员提供了可访问的解决方案.
- 使用这些资源的结构化方法可以加快新型抗病毒药物的识别.
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