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Updated: May 24, 2025

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
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基于RSM和AI的机器学习,以通过设计开发Rivaroxaban推拉式透片的质量及其PBPK建模

Muhammad Talha Saleem1, Muhammad Harris Shoaib2, Rabia Ismail Yousuf1

  • 1Department of Pharmaceutics, Faculty of Pharmacy and Pharmaceutical Sciences, University of Karachi, Karachi, 75270, Pakistan.

Scientific reports
|March 6, 2025
PubMed
概括

人工神经网络 (ANN) 和响应表面方法 (RSM) 优化控制释放的里瓦洛克萨班 (RVX) 透片. ANN有效地模拟复杂药物释放,与即时释放配方相比,提高了生物可用性.

关键词:
人工神经网络的人工神经网络胃补充 胃补充奥斯摩斯药片可以服用.在 PBPK 建模中使用 PBPK 模型.从设计开始的质量.里瓦罗克萨班 (Rivaroxaban) 是一种药物.

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Structure-Activity Relationships and Drug Design01:28

Structure-Activity Relationships and Drug Design

Drug design is a dynamic field that involves discovering and developing new medications based on specific biological targets. This process heavily relies on structure-activity relationships (SAR) and quantitative structure-activity relationships (QSAR) to guide the design and optimization of efficient drugs.
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Pharmacokinetic Models: Overview

Pharmacokinetic models utilize mathematical analysis to achieve a detailed quantitative understanding of a drug's life cycle within the body. They are instrumental in simulating a drug's pharmacokinetic parameters, predicting drug concentrations over time, optimizing dosage regimens, linking concentrations with pharmacologic activity, and estimating potential toxicity.
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Analysis of population pharmacokinetic data involves studying the behavior of drugs within diverse populations to understand their pharmacokinetic parameters. Traditional pharmacokinetic methods typically involve collecting samples from a few individuals and estimating these parameters. While these methods are commonly used, they have limitations in capturing the variability in drug response among individuals or heterogeneous populations. Population pharmacokinetics is employed to address these...
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The one-compartment open model is a simplified approach used in pharmacokinetics to understand the distribution and elimination of a drug administered through an intravenous bolus. This model assumes rapid drug dispersal throughout the body and elimination using a first-order process. Key pharmacokinetic parameters, such as the elimination rate constant (k), half-life (t1/2), and the apparent volume of distribution (Vd), can be estimated from this model. The elimination rate is calculated...
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