Computational approaches for toxicology and Pharmacokinetic properties prediction.

IF 2.8 4区医学 Q3 PHARMACOLOGY & PHARMACY

Journal of Pharmacokinetics and Pharmacodynamics Pub Date : 2025-09-04 DOI:10.1007/s10928-025-09999-y

Navid Kaboudi, Tara Shekari, Ali Shayanfar, Andre Silva Pimentel

引用次数: 0

Abstract

Pharmacokinetics and toxicological studies how the body reacts to a specific administered substance, such as a drug, toxin, or food. Each substance experiences these four steps: absorption, distribution, metabolism, and excretion, which are the main parameters in pharmacokinetics studies. Many toxic endpoints exist. There are three main ways to measure toxicology and pharmacokinetic parameters: in vivo, in vitro, and in-silico. Knowing toxicological and pharmacokinetic parameters before developing a new drug candidate could save time and resources, as clinical studies are highly cost-demanding. This review aims to gather studies using in-silico methodologies to predict pharmacokinetic properties.

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毒理学和药代动力学性质预测的计算方法。

药代动力学和毒理学研究人体对特定物质如药物、毒素或食物的反应。每一种物质都经历了吸收、分布、代谢和排泄四个步骤，这是药代动力学研究的主要参数。存在许多有毒的终点。有三种主要的方法来测量毒理学和药代动力学参数：体内，体外和计算机。在开发新的候选药物之前了解毒理学和药代动力学参数可以节省时间和资源，因为临床研究的成本很高。本综述旨在收集使用计算机方法预测药代动力学性质的研究。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Pharmacokinetics and Pharmacodynamics 医学-药学

CiteScore

4.90

自引率

4.00%

发文量

审稿时长

6-12 weeks

期刊介绍： Broadly speaking, the Journal of Pharmacokinetics and Pharmacodynamics covers the area of pharmacometrics. The journal is devoted to illustrating the importance of pharmacokinetics, pharmacodynamics, and pharmacometrics in drug development, clinical care, and the understanding of drug action. The journal publishes on a variety of topics related to pharmacometrics, including, but not limited to, clinical, experimental, and theoretical papers examining the kinetics of drug disposition and effects of drug action in humans, animals, in vitro, or in silico; modeling and simulation methodology, including optimal design; precision medicine; systems pharmacology; and mathematical pharmacology (including computational biology, bioengineering, and biophysics related to pharmacology, pharmacokinetics, orpharmacodynamics). Clinical papers that include population pharmacokinetic-pharmacodynamic relationships are welcome. The journal actively invites and promotes up-and-coming areas of pharmacometric research, such as real-world evidence, quality of life analyses, and artificial intelligence. The Journal of Pharmacokinetics and Pharmacodynamics is an official journal of the International Society of Pharmacometrics.