在中评估潜在的老年保护剂:从单独的终点到复杂的药物治疗效果
Leonid Stolbov1, Anastasia Rudik1, Alexey Lagunin1,2
1Institute of Biomedical Chemistry, 10 Bldg. 8, Pogodinskaya Str., 119121 Moscow, Russia.
International journal of molecular sciences
|September 27, 2025
概括
这项研究介绍了PASS GERO,这是一个通过评估117种生物活动来预测抗衰老化合物的网络工具. 它有助于研究人员识别潜在的老年保护剂,以延长健康寿命并对抗与年龄相关的疾病.
科学领域:
- 计算化学是一种计算化学.
- 老年学是一门学科.
- 药物发现 药物发现
背景情况:
- 衰老是慢性疾病的主要危险因素,需要进行干预以延长健康寿命.
- 识别调节基本衰老机制的化合物对于开发有效的抗衰老策略至关重要.
研究的目的:
- 开发和验证一种 in silico 方法来评估潜在的老年保护剂.
- 在PASS GERO网络应用程序中实施这种方法,以优先考虑新型化合物候选者.
主要方法:
- 为117种与衰老相关的生物活动开发预测模型.
- 使用PASS GERO网络应用程序进行in silico评估.
- 通过交叉验证,预测的平均不变精度 (IAP) 为0.967.
主要成果:
- 该模型显示了与衰老相关的生物活动的高预测精度.
- 使用已知的老年保护剂 (拉帕米辛,甲胺) 的验证显示,它们的分子机制 (例如,mTOR抑制,AMPK激活) 的准确预测.
结论:
- PASS GERO网络应用程序提供了一个系统的策略,用于优先考虑抗衰老研究中的化合物.
- 尽管在数据多样性和临床翻译方面存在挑战,该工具作为药物发现工作流中的活动概况的强大应用程序.
相关概念视频
Types of Biopharmaceutical Studies: Controlled and Non-Controlled Approaches
407
Biopharmaceutical studies constitute a vital field aiming to enhance drug delivery methods and refine therapeutic approaches, drawing upon diverse interdisciplinary knowledge. In research methodologies, the choice between controlled and non-controlled studies significantly influences the study's reliability and accuracy.
Non-controlled studies, commonly employed for initial exploration, lack a control group, rendering them susceptible to biases and external influences. In contrast,...
Non-controlled studies, commonly employed for initial exploration, lack a control group, rendering them susceptible to biases and external influences. In contrast,...
407
Drug Discovery: Overview
11.0K
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...
11.0K
Bioequivalence of Drugs: Drugs with Multiple Indications
150
The concept of therapeutic equivalence (TE) in drugs with multiple indications is complex. A generic drug may be therapeutically equivalent to a brand-name product for one specific indication, but this doesn't necessarily mean it's equivalent for all other indications. Evidence of TE in one patient group and bioequivalence shown in healthy volunteers can support—but not confirm—TE for other indications. However, definitive proof requires individual clinical studies for each...
150
Preclinical Development: Overview
5.8K
Preclinical development consists of a series of tests that ensure the safety and efficacy of a new therapeutic compound before it is tested in humans. There are four main phases to this process. First, safety pharmacology tests are conducted to ensure the drug does not produce any acutely harmful effects. These tests examine parameters such as bronchoconstriction, cardiac dysrhythmias, blood pressure changes, and ataxia. Next, preliminary toxicological testing is performed to determine the...
5.8K
Structure-Activity Relationships and Drug Design
1.7K
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...
1.7K


