NMR and computational data of two novel antimicrobial peptides

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• 作者：Lucia Falcigno^a ; Gianna Palmieri^b ; ^{gianna.palmieri@ibbr.cnr.it" class="auth_mail" title="E-mail the corresponding author} ; Marco Balestrieri^b ; Yolande T.R. Proroga^c ; Angelo Facchiano^d ; Alessia Riccio^b ; Federico Capuano^c ; Raffaele Marrone^e ; Giuseppe Campanile^e ; Aniello Anastasio^e
• 关键词：NMR analysis ; Antimicrobial peptide ; Molecular design
• 刊名：Data in Brief
• 出版年：2016
• 出版时间：September 2016
• 年：2016
• 卷：8
• 期：Complete
• 页码：562-569
• 全文大小：493 K

文摘

Here we report details on the design and conformational analysis of two novel peptides showing antimicrobial properties, as reported in the research article, “New antimicrobial peptides against foodborne pathogens: from in silico design to experimental evidence” G. Palmieri, M. Balestrieri, Y.T.R. Proroga, L. Falcigno, A. Facchiano, A. Riccio, F. Capuano, R. Marrone, G. Campanile, A. Anastasio (2016) [1]. NMR data, such as chemical shifts in two different solvents as well as aCH protons deviations from random coil values and NOE patterns, are shown together with the statistics of structural calculations. Strategy and particulars of molecular design are presented.