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Effect of Hepatic Disease on Pharmacokinetics: Pathophysiologic Assessment and Liver Function Test

Effect of Hepatic Disease on Pharmacokinetics: Pathophysiologic Assessment and Liver Function Test

In clinical practice, the direct measurement of hepatic blood flow to evaluate liver function presents significant challenges due to the intricate and specialized nature of the necessary techniques. Consequently, healthcare professionals often rely on empirical estimates derived from thorough patient examinations and liver function tests to gauge liver health. Among the tools at their disposal, the Child–Pugh and MELD scoring systems stand out for their ability to categorize and assess the...

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Updated: Jun 14, 2026

Human Liver Microphysiological System for Assessing Drug-Induced Liver Toxicity In Vitro

Human Liver Microphysiological System for Assessing Drug-Induced Liver Toxicity In Vitro

Published on: January 31, 2022

通过人工智能增强多种肝脏微体稳定性的预测.

Teng-Zhi Long¹, De-Jun Jiang², Shao-Hua Shi³

¹Xiangya School of Pharmaceutical Sciences, Central South University, Changsha 410013, Hunan, P. R. China.

Journal of chemical information and modeling

|March 18, 2024

概括

这项研究开发了先进的机器学习模型,以预测人类,大鼠和小鼠物种的肝脏微小体稳定性. 这些模型通过改善代谢稳定性预测来增强药物发现.

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Human Liver Spheroids from Peripheral Blood for Liver Disease Studies

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Author Spotlight: Developing a Simple and Robust Hepatic Model for Pharmacological and Toxicological Applications

Author Spotlight: Developing a Simple and Robust Hepatic Model for Pharmacological and Toxicological Applications

Published on: October 20, 2023

相关实验视频

Last Updated: Jun 14, 2026

Human Liver Microphysiological System for Assessing Drug-Induced Liver Toxicity In Vitro

Human Liver Microphysiological System for Assessing Drug-Induced Liver Toxicity In Vitro

Published on: January 31, 2022

Human Liver Spheroids from Peripheral Blood for Liver Disease Studies

Human Liver Spheroids from Peripheral Blood for Liver Disease Studies

Published on: January 27, 2023

Author Spotlight: Developing a Simple and Robust Hepatic Model for Pharmacological and Toxicological Applications

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Published on: October 20, 2023

科学领域:

药理学药理学是指药理学的学科.
计算化学计算化学
药物发现药物发现药物发现

背景情况:

肝脏微体稳定性对于药物开发至关重要.
现有的预测模型缺乏跨物种数据和全面分析.
代谢稳定性影响药物的有效性和安全性.

研究的目的:

构建最大的多种数据库来检测肝脏微体稳定性.
开发和验证先进的机器学习模型,用于预测肝脏微体稳定性.
解释模型预测并识别影响稳定性的结构因素.

主要方法:

用人类,老鼠和小鼠化合物构建数据库.
开发基于描述符和基于图形的机器学习分类模型.
应用共识建模,SHAP,原子热图和匹配分子对分析 (MMPA).

主要成果:

实现了高预测性能,MCC为0.616 (人类),0.603 (老鼠) 和0.574 (老鼠).
共识模型的表现优于现有模型.
确定了影响跨物种肝脏微体稳定性的关键分子特征和结构变化.

结论:

开发的模型和解释方法显著提升了对肝脏微体稳定性的预测.
这项工作为加速药物发现和开发过程提供了宝贵的见解.
多种方法为代谢稳定性评估提供了一个更强大的平台.