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首页> 外文期刊>QSAR & combinatorial science >Factor Analysis Scale of Generalized Amino Acid Information as the Source of a New Set of Descriptors for Elucidating the Structure and Activity Relationships of Cationic Antimicrobial Peptides
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Factor Analysis Scale of Generalized Amino Acid Information as the Source of a New Set of Descriptors for Elucidating the Structure and Activity Relationships of Cationic Antimicrobial Peptides

机译：氨基酸信息的因子分析量表，作为阐明阳离子抗菌肽结构与活性关系的一组新描述符的来源

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摘要

Factor Analysis Scale of Generalized Amino Acid Information (FASGAI), as a new set of amino acid descriptors, reflecting hydrophobicity, alpha and turn propensities, bulky properties, compositional characteristics, local flexibility, and electronic properties, was derived from multi-dimensional properties of 20 coded amino acids. Quantitative Structure - Activity Relationship (QSAR) analyses on 101 cationic Antimicrobial Peptides (AMPs) with 1.5 residues were then performed using FASGAI representation, Genetic Algorithm (GA) selection features, and Partial Least Squares (PLS) modeling. It was found that electronic properties of the tenth residue, bulky properties of the seventh residue, hydrophobicity of the twelfth residue, electronic properties of the third residue were highly positively correlated to antibacterial activity, whereas, hydrophobicity of the sixth residue, compositional characteristics of the sixth residue, and hydrophobicity of the tenth residue were highly negatively correlated to antibacterial activity. Analysis of variance demonstrated that a specific sequence rather than an overall sequence of AMPs may be responsible for high activity. Favorable results showed that FASGAI descriptors cherish many distinguished advantages such as plentiful structural information, easy manipulation, straightforward physicochemical meaning, and high characterization competence, and GA for parameter selection is valid in QSAR of antimicrobial peptides studied. These have thus pointed us further into the potential direction of investigation on structures and functions of other various functional peptides.
机译：通用氨基酸信息的因子分析量表（FASGAI）作为一组新的氨基酸描述符，反映了疏水性，α和转弯倾向，庞大的性质，组成特征，局部柔韧性和电子性质，是从以下方面得出的： 20个编码的氨基酸。然后使用FASGAI表示，遗传算法（GA）选择功能和偏最小二乘（PLS）建模，对101个带有1.5个残基的阳离子抗菌肽（AMP）进行定量结构-活性关系（QSAR）分析。发现第十个残基的电子性质，第七个残基的大体积性质，第十二个残基的疏水性，第三个残基的电子性质与抗菌活性高度正相关，而第六个残基的疏水性，其组成特征。第六残基和第十残基的疏水性与抗菌活性高度负相关。方差分析表明，AMP的特定序列而非整个序列可能是高活性的原因。良好的结果表明，FASGAI描述符具有许多显着的优点，例如丰富的结构信息，易于操作，简单的理化意义和很高的表征能力，并且用于参数选择的GA在所研究的抗菌肽的QSAR中是有效的。因此，这些使我们进一步指出了研究其他各种功能性肽的结构和功能的潜在方向。

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