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Review Article

计算机辅助药物设计工具概述及其在抗糖尿病药物设计中的最新应用

卷 22, 期 10, 2021

发表于: 19 November, 2020

页: [1158 - 1182] 页: 25

弟呕挨: 10.2174/1389450121666201119141525

价格: $65

摘要

背景：在这个快速发展的时代，现在可以通过转换为存储信息的数据集来轻松访问高吞吐量数据。这些信息对于通过计算机辅助药物设计 (CADD) 优化假设和药物设计很有价值。如今，我们可以探索 CADD 在纳米技术、生物化学、医学科学、分子生物学等各个学科中的作用。 方法：我们使用相关数据库搜索有价值的文献，并使用给定的关键词，如计算机辅助药物设计、抗糖尿病、药物设计等。我们检索了所有近期的有价值文章，并讨论了计算在抗糖尿病药物设计中的作用。糖尿病药剂。 结果：为了促进药物发现过程，计算方法在药物发现的整个管道中设置了里程碑，从靶标识别和作用机制到先导物和候选药物的识别。与此同时，还致力于描述计算机模拟研究在预测吸收、分布、代谢、排泄和毒性特征方面的重要性。因此，在全球范围内，CADD 被用于研究 QSAR、虚拟筛选、蛋白质结构预测、量子化学、材料设计、物理和生物特性预测的各种工具所接受。 结论：计算机辅助工具被用作不同疾病领域的药物发现工具，在此我们回顾了信息技术和化学信息学工具在发现抗糖尿病药物方面的协作方面，同时考虑到治疗糖尿病药物日益增长的重要性。糖尿病。

关键词: 抗糖尿病药、计算机辅助药物设计、分子对接、QSAR、虚拟筛选、化学信息学工具。

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