计算机模拟软件在药代动力学和药效学分析中的应用批判。

IF 3.2 Q2 Pharmacology, Toxicology and Pharmaceutics Current clinical pharmacology Pub Date : 2018-01-01 DOI:10.2174/1574884713666181025144845
Vivek Dave, Renu Bala Yadav, Sachdev Yadav, Swapnil Sharma, Ram Kumar Sahu, Ayodeji Folorunsho Ajayi
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引用次数: 8

摘要

背景:在制药领域,计算机作为所有理论方面的指挥者发挥着至关重要的作用,并为提高药物研究和开发的整体质量提供了一个工作平台。本文的目的是为临床药代动力学领域中众多计算机软件技术的开发提供一种计算方法。临床药师和科学家在处理临床药代动力学问题方面所掌握的应用知识和技能,可以应用于临床的日常实践。方法:采用群体药代动力学、个体药代动力学、吸收、分布、代谢和排泄(ADME)药代动力学等软件,以及基于windows的非线性模型拟合(WinNonlin)、统计分析软件(SAS)、非线性混合效应建模(NONMEM)、PK Solution等计算机药代动力学软件,求解各种复杂的药代动力学方程并建立药代动力学过程模型。结果:本文描述的各种软件有助于开展实验研究设计,数据的统计处理和各种模拟研究等。一个健壮的软件解决方案应该易于使用,并解决PK-PD工作流的三个主要部分,如数据管理、分析和报告。PK-PD软件允许研究人员预测新药实体的ADME特性。对于药代动力学的研究,最好的软件是WINBUGS,它不受问题的尺寸阵列和大小的限制。用于个体药代动力学的最佳软件是T.D.M.S,其中我们可以使用贝叶斯和最小二乘法进行曲线拟合,它可以用于线性和非线性药代动力学数据。结论:本文讨论了各种软件。该软件不仅有助于了解软件的历史,而且有助于获得更多关于药代动力学和药效学模拟的知识。不同的软件,如群体药代动力学,个体药代动力学和其他在本文中讨论将有助于报告和分析数据。本文还讨论了在选择软件时应考虑的要点,以方便软件的使用。
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A Critique of Computer Simulation Software's Used in Pharmacokinetics and Pharmacodynamics Analysis.

Background: In the pharmaceutical sectors, the computer plays a crucial role as a commander of all the theoretical aspects and provides a workbench to improve the overall quality of pharmaceutical research and development. The aim of this article is to provide a computational approach to the development of numerous technology of computer software in the field of clinical pharmacokinetics. The computational technique practised by clinical pharmacist and scientist with the applied knowledge and skills in dealing with clinical pharmacokinetics problems can be applied in routine clinical practices.

Methods: To solve the various complicated pharmacokinetic equations and modeling of pharmacokinetic processes, various software were used like Population pharmacokinetics, Individual pharmacokinetics, Absorption, Distribution, Metabolism, and Excretion (ADME) pharmacokinetics, in - silico pharmacokinetics like Window-Based Non-linear model fitting (WinNonlin), Statistical Analysis Software (SAS), Non-linear Mixed Effects Modelling (NONMEM), PK Solution etc. Results: Various software's which was described in this paper help in the development of experimental study designs, statistical treatment of data and various simulation studies, etc. A robust software solution should be easy to use and address the three main parts of the PK-PD workflow like data management, analysis, and reporting. PK-PD software's allow researchers to predict ADME properties of new drug entity. For the study of the pharmacokinetic, the best software is WINBUGS where there is no limitation of dimensional array and size of the problem. The best software to be used for individual pharmacokinetics is T.D.M.S in which, we can apply Bayesian and least square method for curve fitting and it can be used for both linear and non-linear pharmacokinetic data.

Conclusion: Various software were discussed here. This software not only help in knowing the history of the software but also help in gaining more knowledge about pharmacokinetics and pharmacodynamics simulation. Different software such as population pharmacokinetic, individual pharmacokinetic and others discussed in this article will help in the reporting and analyzing of data. The important points to be considered while selecting the software is also discussed which will help in easy accessing of software.

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来源期刊
Current clinical pharmacology
Current clinical pharmacology PHARMACOLOGY & PHARMACY-
CiteScore
3.60
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期刊介绍: Current Clinical Pharmacology publishes frontier reviews on all the latest advances in clinical pharmacology. The journal"s aim is to publish the highest quality review articles in the field. Topics covered include: pharmacokinetics; therapeutic trials; adverse drug reactions; drug interactions; drug metabolism; pharmacoepidemiology; and drug development. The journal is essential reading for all researchers in clinical pharmacology.
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