相关实验视频

Updated: Jun 17, 2025

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
10:29

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors

Published on: May 9, 2025

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通过基于蒙特卡洛优化的QSAR建模,分子对接研究和ADMET预测,开发新型血管酶转化酶-I抑制剂的in silico开发

Sandra Šarić1, Tomislav Kostić2, Milan Lović3

  • 1Institute for cardiovascular prevention and rehabilitation, Niška Banja, Niš, Serbia.

Computational biology and chemistry
|August 11, 2024
PubMed
概括

这项研究开发了定量结构-活性关系 (QSAR) 模型,以确定用于心血管疾病的有效血管酶转化酶抑制剂 (ACE-I). 这些模型准确地预测化合物活性,并指导新药候选药物的设计.

关键词:
ACE 抑制剂 是 一种 ACE 抑制剂.化学信息学是一种化学信息学.药物设计 药物设计分子建模分子建模在QSAR中使用QSAR.

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