Kaboudi Navid, Shekari Tara, Shayanfar Ali, Pimentel Andre Silva
Faculty of Pharmacy, Tabriz University of Medical Sciences, Tabriz, Iran.
Department of Pharmaceutics, Faculty of Pharmacy, Tehran University of Medical Sciences, Tehran, Iran.
J Pharmacokinet Pharmacodyn. 2025 Sep 4;52(5):51. doi: 10.1007/s10928-025-09999-y.
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.
药代动力学和毒理学研究身体对特定给药物质（如药物、毒素或食物）的反应。每种物质都经历吸收、分布、代谢和排泄这四个步骤，它们是药代动力学研究的主要参数。存在许多毒性终点。测量毒理学和药代动力学参数有三种主要方法：体内、体外和计算机模拟。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，因为临床研究成本很高。本综述旨在收集使用计算机模拟方法预测药代动力学性质的研究。
