在计算机工具解冻数据的复杂性:革命性的药物研究在药物代谢,药代动力学和毒性预测。

IF 2.1 4区 医学 Q4 BIOCHEMISTRY & MOLECULAR BIOLOGY Current drug metabolism Pub Date : 2023-01-01 DOI:10.2174/0113892002270798231201111422
Hema Sree Kommalapati, Pushpa Pilli, Vijaya Madhyanapu Golla, Nehal Bhatt, Gananadhamu Samanthula
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引用次数: 0

摘要

计算机工具是研究人员和崭露头角的化学家在快照中提取分析数据的蓬勃发展的途径。传统上,药物研究严重依赖于劳动密集型实验,常常受到时间、成本和伦理约束的限制。计算机工具为更有效和更具成本效益的药物开发过程铺平了道路。通过采用先进的计算算法,这些工具可以筛选大量的化合物库,识别潜在的毒性,并优先考虑更安全的候选药物,以供进一步研究。将计算机工具集成到药物研究管道中大大加快了药物发现过程,促进了早期决策并减少了对资源密集型实验的依赖。此外,这些工具可以潜在地减少对动物试验的需求,促进动物研究中的3r原则(减少、改进和替代)。这篇论文强调了在革命性的药物研究中,计算机工具的巨大潜力。利用计算模型来预测药物代谢、药代动力学和毒性。研究人员可以做出明智的决定,并优先考虑最有希望的候选药物进行进一步的研究。本文中关于趋势话题的计算机工具的同步性是有见地的,并且将在加速药物开发中发挥越来越重要的作用。
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In Silico Tools to Thaw the Complexity of the Data: Revolutionizing Drug Research in Drug Metabolism, Pharmacokinetics and Toxicity Prediction.

In silico tool is the flourishing pathway for Researchers and budding chemists to strain the analytical data in a snapshot. Traditionally, drug research has heavily relied on labor-intensive experiments, often limited by time, cost, and ethical constraints. In silico tools have paved the way for more efficient and cost-effective drug development processes. By employing advanced computational algorithms, these tools can screen large libraries of compounds, identifying potential toxicities and prioritizing safer drug candidates for further investigation. Integrating in silico tools into the drug research pipeline has significantly accelerated the drug discovery process, facilitating early-stage decision-making and reducing the reliance on resource-intensive experimentation. Moreover, these tools can potentially minimize the need for animal testing, promoting the principles of the 3Rs (reduction, refinement, and replacement) in animal research. This paper highlights the immense potential of in silico tools in revolutionizing drug research. By leveraging computational models to predict drug metabolism, pharmacokinetics, and toxicity. Researchers can make informed decisions and prioritize the most promising drug candidates for further investigation. The synchronicity of In silico tools in this article on trending topics is insightful and will play an increasingly integral role in expediting drug development.

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来源期刊
Current drug metabolism
Current drug metabolism 医学-生化与分子生物学
CiteScore
4.30
自引率
4.30%
发文量
81
审稿时长
4-8 weeks
期刊介绍: Current Drug Metabolism aims to cover all the latest and outstanding developments in drug metabolism, pharmacokinetics, and drug disposition. The journal serves as an international forum for the publication of full-length/mini review, research articles and guest edited issues in drug metabolism. Current Drug Metabolism is an essential journal for academic, clinical, government and pharmaceutical scientists who wish to be kept informed and up-to-date with the most important developments. The journal covers the following general topic areas: pharmaceutics, pharmacokinetics, toxicology, and most importantly drug metabolism. More specifically, in vitro and in vivo drug metabolism of phase I and phase II enzymes or metabolic pathways; drug-drug interactions and enzyme kinetics; pharmacokinetics, pharmacokinetic-pharmacodynamic modeling, and toxicokinetics; interspecies differences in metabolism or pharmacokinetics, species scaling and extrapolations; drug transporters; target organ toxicity and interindividual variability in drug exposure-response; extrahepatic metabolism; bioactivation, reactive metabolites, and developments for the identification of drug metabolites. Preclinical and clinical reviews describing the drug metabolism and pharmacokinetics of marketed drugs or drug classes.
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