相关实验视频

Updated: Jul 10, 2025

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

Published on: December 1, 2020

使用机器学习管道从不同来源寻找胺抑制剂的血

Nivedha Balakrishnan¹, Rahul Katkar¹, Peter V Pham¹

¹Department of Chemical and Materials Engineering, San José State University, San Jose, CA 95192, USA.

Bioengineering (Basel, Switzerland)

|November 25, 2023

概括

机器学习模型能够识别出强大的胺抑制剂,即血栓激素的抑制剂,血栓激素是心血管疾病中的关键酶. 这一管道加速了新型直接血栓激素抑制剂 (DTI) 的发现,其疗效和安全性有所改善.

科学领域:

生物化学生化学
计算生物学计算生物学
药理学药理学是指药理学的学科.

背景情况:

热血素是心血管疾病发病的一个关键酶.
直接血栓抑制剂 (DTIs) 提供了改善的治疗方法,但面临着诸如出血风险和药理动力学等挑战.
现有的DTI发现管道需要加强,以提高效率.

研究的目的:

开发一条机器学习管道,用于识别和排名具有有效血栓抑制潜力的序列.
加快新型直接血栓激素抑制剂 (DTI) 的发现.

主要方法:

开发了一个两阶段的机器学习模型,使用已知素抑制剂和非抑制剂的精选数据集.
第一个阶段确定了抑制序列 (83.6%的MCC).
第二阶段预测了广泛的亲和度的结合亲和度 (日志RMSE为1.114).

主要成果:

这些模型确定了血栓抑制剂的独特的物理化学和结构特征.
超过1000万个被分类,揭示了具有高预测抑制潜力的有希望的短序列 (<15个氨基酸).
根据预测的结合能,确定了假定的DTI候选者.

结论:

开发的机器学习管道有效地识别和排名潜在的直接血栓激素抑制剂.
这种方法加速了基于的新型DTI的发现,解决了当前治疗方法的局限性.
预测管道可以通过Web服务器访问,以获得更广泛的研究应用.

关键词:

抗凝固剂是一种抗凝固剂.这是一种抗血栓的抗血栓药物.这是分类分类的分类.质设计的设计.这是一个回归回归的回归.

更多相关视频

Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions

Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions

Published on: January 26, 2024

Identifying Protein-protein Interaction Sites Using Peptide Arrays

Identifying Protein-protein Interaction Sites Using Peptide Arrays

Published on: November 18, 2014

相关概念视频

Protein-protein Interfaces

Protein-protein Interfaces

Many proteins form complexes to carry out their functions, making protein-protein interactions (PPIs) essential for an organism's survival. Most PPIs are stabilized by numerous weak noncovalent chemical forces. The physical shape of the interfaces determines the way two proteins interact. Many globular proteins have closely-matching shapes on their surfaces, which form a large number of weak bonds. Additionally, many PPIs occur between two helices or between a surface cleft and a...

Peptide Identification Using Tandem Mass Spectrometry

Peptide Identification Using Tandem Mass Spectrometry

Tandem mass spectrometry, also known as MS/MS or MS2, is an analytical technique that employs two mass analyzers. Essentially it is a series of mass spectrometers that helps isolate a particular biomolecule and then helps study its chemical properties.
This technique helps gather information regarding the protein from which the peptide was obtained and to study the peptides’ amino acid sequence. Identifying peptides from a complex mixture is an important component of the growing field of...