如何加速药物发现:整合创新方法加速现代药物开发。

IF 1.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY
Nail Besli, Nilufer Ercin, Ulkan Celik, Yusuf Tutar
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引用次数: 0

摘要

药物发现过程,传统上是一个漫长而昂贵的努力,通过整合创新方法正在发生革命性的变化。这篇综述深入探讨了现代技术如何加速药物发现和开发,显著降低成本。我们专注于生物信息学,人工智能(AI)和高通量筛选(HTS)的强大协同作用。生物信息学通过分析大量的基因组和蛋白质组学数据集,帮助鉴定和验证药物靶点。人工智能通过预测建模和机器学习(ML)算法增强了先导化合物的识别和优化,减少了这些阶段所需的时间。HTS促进了大量化合物文库的快速筛选,以确定潜在的候选药物。基于人工智能的方法,如HTS和预测建模,可以增强早期决策,最大限度地减少反复试验,并有助于提高整个管道的成本效益。此外,计算化学和分子动力学模拟的进步为药物-靶标相互作用提供了更深入的见解,进一步加速了有效和选择性药物的设计。在药物发现过程中,候选药物在实验室和活体动物环境中进行测试,以评估其有效性、药代动力学和安全性。通过整合这些临床前方法,可以显著提高药物发现的效率和成功率,从而开发出更有效、更安全的药物。这篇综述强调了这些技术在当代药物开发中的重要作用,并探讨了它们对未来研究和临床应用的前景。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
How to Expedite Drug Discovery: Integrating Innovative Approaches to Accelerate Modern Drug Development.

The drug discovery process, traditionally a lengthy and costly endeavor, is being revolutionized by integrating innovative approaches. This review delves into how modern techniques accelerate drug discovery and development, significantly reducing costs.  We focus on the robust synergy of bioinformatics, artificial intelligence (AI), and high-throughput screening (HTS). Bioinformatics aids in the identification and validation of drug targets by analyzing vast genomic and proteomic datasets. AI enhances lead compound identification and optimization through predictive modeling and machine learning (ML) algorithms, slashing the time required for these stages. HTS facilitates the rapid screening of vast compound libraries to pinpoint potential drug candidates. AI-based approaches, such as HTS and predictive modeling, enhance early-stage decision-making, minimize trial-and-error experimentation, and contribute to cost-efficiency across the pipeline. Moreover, advancements in computational chemistry and molecular dynamics simulations provide deeper insights into drug-target interactions, further accelerating the design of effective and selective drugs. In drug discovery, drug candidates are tested in laboratory and live animal settings to assess their effectiveness, pharmacokinetics, and safety. By integrating these preclinical methods, the efficiency and success of drug discovery can be significantly improved, leading to more effective and safer drugs. This review underscores the important role of these technologies in contemporary drug development and explores their promising implications for future research and clinical applications.

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来源期刊
Acta Chimica Slovenica
Acta Chimica Slovenica 化学-化学综合
CiteScore
2.50
自引率
25.00%
发文量
80
审稿时长
1.0 months
期刊介绍: Is an international, peer-reviewed and Open Access journal. It provides a forum for the publication of original scientific research in all fields of chemistry and closely related areas. Reviews, feature, scientific and technical articles, and short communications are welcome.
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