NMR and computational data of two novel antimicrobial peptides

Lucia Falcigno; Gianna Palmieri; Marco Balestrieri; Yolande T R Proroga; Angelo Facchiano; Alessia Riccio; Federico Capuano; Raffaele Marrone; Giuseppe Campanile; Aniello Anastasio

doi:10.1016/j.dib.2016.06.009

NMR and computational data of two novel antimicrobial peptides

Data Brief. 2016 Jun 16:8:562-9. doi: 10.1016/j.dib.2016.06.009. eCollection 2016 Sep.

Affiliations

¹ Department of Pharmacy, University of Naples Federico II, Via Mezzocannone, 16, 80134 Naples, Italy.
² Institute of Biosciences and BioResources (IBBR)-UOS Na, National Research Council (CNR-IBBR),Via Pietro Castellino 111, 80131 Naples, Italy.
³ Department of Food Microbiology, Istituto Zooprofilattico Sperimentale del Mezzogiorno, Via della salute, 2, 80055 Portici, Italy.
⁴ Institute of Food Science National Research Council (CNR-ISA), Via Roma 52, 83100 Avellino, Italy.
⁵ Department of Veterinary Medicine and Animal Production, University of Naples Federico II, Via Federico Delpino 1, 80137 Naples, Italy.

Abstract

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.