教研中Excel对抗菌肽分子设计的辅助研究  

Assistant study on the design of antimicrobial peptides by Excel in teaching and research

作　　者：李伟忠[1,2] 薛佳桢[2] 高峰涛[1,2] 于海瑞 LI Wei-zhong;XUE Jia-zhen;Gao Fengtao;YU Hai-rui(Institute of Modem Facility Fisheries,Weifang University,Weifang 261061,China;College of Biological and Agricultural Engineering,Weifang University,Weifang 261061,China)

机构地区：[1]潍坊学院现代设施渔业研究院,山东潍坊261061 [2]潍坊学院生物与农业工程学院,山东潍坊261061

出　　处：《潍坊学院学报》2020年第6期15-19,共5页Journal of Weifang University

基　　金：山东省重点研发计划项目(2018CXGC0102);潍坊市科学技术发展计划(2019GX008);潍坊学院博士基金(2020BS21)。

摘　　要：减少盲目设计、缩短试验周期及降低材料费用是抗菌肽(AMPs)分子设计不懈追求的目标,关键理化参数的预测是AMPs设计的重要手段,如何依据复杂的数学模型快速计量理化参数成为教研中亟待解决的问题。因此,本研究基于AMPs的理化参数计算原理,以3种氨基酸疏水值为模型,运用MS-Excel软件设计出平均疏水性和疏水力矩两参数计算平台。与手工或线上计算相比,此平台具有离线、自动、无延迟、可任选疏水值模型的特点,录入肽序列即可完成参数的运算。通过对Excel内置功能集成设计,极大提高了AMPs分子设计的效率,对推动科研工作高效开展具有重要意义。It’s the unremitting pursuit of molecular design for antimicrobial peptides(AMPs) to reduce the blind design, curtail the test period and save the material cost;in the meanwhile, the prediction of the molecular determinants of AMPs is an essential tactics for AMPs’ design. Nevertheless, it’s an urgent problem that molecular determinants are measured quickly by the complicated mathematical models in scientific research and experimental teaching. Therefore, platform for calculating two determinants(average hydrophobicity and hydrophobic moment) was designed step-by-step by using MS-Excel rationally in this study, which was based on calculative principle of molecular determinant for AMPs with three kinds of acid amino scales, and reflected many calculation advantages over artificial and on-line calculations for determinants such as off-line, automatic, undelayed and optional three hydrophobicity scales. In short, efficiency of molecular design for AMPs is greatly improved by calculating molecular determinants with Excel, which is of great significance to promote the efficient development of scientific research.

关 键 词：抗菌肽 辅助设计 疏水力矩 疏水性 EXCEL 

分 类 号：TQ465.6[化学工程—制药化工]