从序列到解决方案:药物发现和蛋白质分析中的智能学习引擎优化。

IF 2.7 Q3 BIOTECHNOLOGY & APPLIED MICROBIOLOGY
BioTech Pub Date : 2024-09-01 DOI:10.3390/biotech13030033
Jamal Raiyn, Adam Rayan, Saleh Abu-Lafi, Anwar Rayan
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引用次数: 0

摘要

本研究介绍了智能学习引擎(ILE)优化技术,这是一种新颖的方法,旨在彻底改变生物信息学、化学信息学和其他一系列科学领域的筛选过程。ILE 技术专注于高效、精确地识别具有理想特征的候选物,在解决药物发现、蛋白质分类等候选物选择的复杂性方面实现了重大飞跃。这项研究的主要目的是应对与优化筛选过程相关的挑战,以便在包括药物发现和蛋白质分类在内的各个领域有效地选择候选药物。所采用的方法涉及一个详细的算法过程,包括数据集准备、蛋白质序列编码、传感器核化和优化,最终对分子活性索引、基于同源性的建模和蛋白质分类(如 G 蛋白偶联受体)进行实证评估。这一过程展示了该方法在多序列比对、蛋白质识别和分类方面的成功。主要结果表明,ILE 在蛋白质分类和虚拟高通量筛选方面具有卓越的准确性,在通过 hERG 钾通道相互作用分析评估药物诱发长 QT 综合征风险的药物开发方面取得了显著突破。该技术在新型癌症候选药物的配制和评估方面展示了卓越的成果,凸显了其在医药创新方面取得重大进展的潜力。这些发现强调了 ILE 优化技术是筛选过程中的一种变革性工具,因为它的有效性和广泛适用性已在各个领域得到证实。这一突破极大地促进了系统优化领域的发展,并有望实现多种应用,加强具有目标特性的候选分子的筛选过程,推动药物发现、蛋白质分类和建模。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
From Sequence to Solution: Intelligent Learning Engine Optimization in Drug Discovery and Protein Analysis.

This study introduces the intelligent learning engine (ILE) optimization technology, a novel approach designed to revolutionize screening processes in bioinformatics, cheminformatics, and a range of other scientific fields. By focusing on the efficient and precise identification of candidates with desirable characteristics, the ILE technology marks a significant leap forward in addressing the complexities of candidate selection in drug discovery, protein classification, and beyond. The study's primary objective is to address the challenges associated with optimizing screening processes to efficiently select candidates across various fields, including drug discovery and protein classification. The methodology employed involves a detailed algorithmic process that includes dataset preparation, encoding of protein sequences, sensor nucleation, and optimization, culminating in the empirical evaluation of molecular activity indexing, homology-based modeling, and classification of proteins such as G-protein-coupled receptors. This process showcases the method's success in multiple sequence alignment, protein identification, and classification. Key results demonstrate the ILE's superior accuracy in protein classification and virtual high-throughput screening, with a notable breakthrough in drug development for assessing drug-induced long QT syndrome risks through hERG potassium channel interaction analysis. The technology showcased exceptional results in the formulation and evaluation of novel cancer drug candidates, highlighting its potential for significant advancements in pharmaceutical innovations. The findings underline the ILE optimization technology as a transformative tool in screening processes due to its proven effectiveness and broad applicability across various domains. This breakthrough contributes substantially to the fields of systems optimization and holds promise for diverse applications, enhancing the process of selecting candidate molecules with target properties and advancing drug discovery, protein classification, and modeling.

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来源期刊
BioTech
BioTech Immunology and Microbiology-Applied Microbiology and Biotechnology
CiteScore
3.70
自引率
0.00%
发文量
51
审稿时长
11 weeks
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