AURA:加速药物发现,以准确性,实用性和排名顺序评估以实现数据驱动的决策
Edward Price1, Virginia Saulnier1, John Cory Kalvass1
1Research and Development, AbbVie Inc., 1 North Waukegan Road, North Chicago, IL 60064, United States.
Journal of pharmaceutical sciences
|December 20, 2024
概括
一种新的统计方法,准确性,实用性和排名顺序评估 (AURA),通过分析项目特定数据来改善肠道吸收的预测. 这种方法增强了生物制药公司的早期药物优化.
科学领域:
- 药理动力学和药物新陈代谢
- 计算化学计算化学
- 生物制药研究 生物制药研究
背景情况:
- 生物制药公司通过in silico,in vitro和in vivo研究生成大量数据集.
- 预测肠道吸收对于药物开发的早期阶段至关重要,但仍然很复杂.
- 现有的方法往往缺乏项目特定的定制,导致次优化优化.
研究的目的:
- 引入一个标准化的统计方法,准确性,实用性和排名顺序评估 (AURA),用于评估预测肠道吸收的终点有效性.
- 展示项目特定数据分析对药物优化全球模型的价值.
- 为生物制药组织提供一个框架,以加强早期药物开发工作流程.
主要方法:
- 准确性,实用性和排名顺序评估 (AURA) 的实施,这是一个统计方法,结合了基本分析和动态数据可视化.
- 评估各种物理化学性质及其对肠道吸收的影响.
- 与全球模型对比项目特定的相关性.
主要成果:
- 物理化学性质在项目特定的基础上独特地影响肠道吸收.
- 无论是"规则5" (Ro5) 还是"超越规则5" (bRo5) 项目,都面临着不同的吸收挑战,需要量身定制的战略.
- 与全球模型相比,项目特定的相关性显示出更高的准确性,突出显示了吸收预测的复杂性.
结论:
- AURA为生物制药公司提供了一种标准化,可适应的方法,以改善早期药物优化.
- 在AURA中,自动化分析,多样化的数据集成和灵活的可视化可以促进数据驱动的决策.
- 该AURA方法提高了研究效率和跨职能团队在药物开发中的合作.
关键词:
吸收方式 吸收方式吸收,分布,新陈代谢和分泌 (ADME) 的情况在Caco-2细胞中.计算机辅助药物设计数据库 (((s) 的数据库.药物设计 药物设计在体外模型 (in vitro模型)肠道吸收 肠道吸收机器学习 机器学习透性 透性的更多相关视频
00:05A Semi-Quantitative Drug Affinity Responsive Target Stability DARTS assay for studying Rapamycin/mTOR interaction
Published on: August 27, 2019
16.2K
16:02Demonstration of the Sequence Alignment to Predict Across Species Susceptibility Tool for Rapid Assessment of Protein Conservation
Published on: February 10, 2023
2.6K
相关概念视频
01:26Drug Discovery: Overview
7.5K
Drug discovery is a multifaceted process involving extensive screening, testing, and optimization of lead compounds to identify potential new drugs for therapeutic use. It combines several approaches, including screening large numbers of natural products, chemical modification of known active molecules, identification of new drug targets, and rational design based on biological mechanisms and drug-receptor structure. These approaches are carried out in both academic research laboratories and...
7.5K
01:28Structure-Activity Relationships and Drug Design
510
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.
SAR studies the intricate relationship between a drug's chemical structure and biological activity. It focuses on understanding how modifications to a drug's structure can influence...
SAR studies the intricate relationship between a drug's chemical structure and biological activity. It focuses on understanding how modifications to a drug's structure can influence...
510
01:26Drug Administration and Therapy Phases: Overview
407
Drugs, the chemical agents used in diagnosing, treating, or preventing diseases, undergo a four-phase process of development: pharmaceutic, pharmacokinetics, pharmacodynamics, and therapeutic.
The pharmaceutical phase focuses on leveraging the physicochemical properties of the drug to design and manufacture an effective product. Variants include orally administered tablets or capsules, topical creams or ointments, and parenteral-delivery solutions or emulsions.
The pharmacokinetic phase...
The pharmaceutical phase focuses on leveraging the physicochemical properties of the drug to design and manufacture an effective product. Variants include orally administered tablets or capsules, topical creams or ointments, and parenteral-delivery solutions or emulsions.
The pharmacokinetic phase...
407
01:19Pharmacovigilance
773
Post-marketing surveillance is a critical component of pharmaceutical regulation, often uncovering unanticipated adverse drug reactions (ADRs) once a drug is widely used over an extended period.
This process, termed pharmacovigilance, aims to detect, evaluate, and minimize harmful effects related to medication use. The data collection for pharmacovigilance depends on spontaneous reporting systems, where healthcare professionals or patients voluntarily report suspected ADRs.
In some cases, there...
This process, termed pharmacovigilance, aims to detect, evaluate, and minimize harmful effects related to medication use. The data collection for pharmacovigilance depends on spontaneous reporting systems, where healthcare professionals or patients voluntarily report suspected ADRs.
In some cases, there...
773
01:21Factors Affecting Drug Response: Overview
1.8K
When it comes to infants and young children, they are typically administered smaller doses of medication in comparison to adults. This is primarily because their organ functions still need to fully develop, meaning their bodies are not as efficient at metabolizing or eliminating drugs. Additionally, their blood-brain barrier is more permeable than in adults. As a result, high concentrations of drugs can easily penetrate the central nervous system (CNS), potentially leading to neurological...
1.8K
01:26Targets for Drug Action: Overview
6.0K
Drugs target macromolecules to modify ongoing cellular processes. Primary drug targets include receptors, ion channels, transporters, and enzymes.
Receptors are either membrane-spanning or intracellular proteins, which upon binding a ligand, get activated and transmit the signal downstream to elicit a response. Drugs bind receptors, either mimicking the action of endogenous ligands or blocking the receptor activity to bring about a modified response. Nearly 35% of approved drugs target the G...
Receptors are either membrane-spanning or intracellular proteins, which upon binding a ligand, get activated and transmit the signal downstream to elicit a response. Drugs bind receptors, either mimicking the action of endogenous ligands or blocking the receptor activity to bring about a modified response. Nearly 35% of approved drugs target the G...
6.0K