Insights on peptide topology in the computational design of protein ligands: the example of lysozyme binding peptides-Reference-Cited by-同舟云学术

Insights on peptide topology in the computational design of protein ligands: the example of lysozyme binding peptides

Published:2021 Issue:40 Volume:23 Page:23158-23172
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Cantarutti Cristina¹^ORCID,Vargas M. Cristina²^ORCID,Dongmo Foumthuim Cedrix J.¹³^ORCID,Dumoulin Mireille⁴,La Manna Sara⁵,Marasco Daniela⁵,Santambrogio Carlo⁶,Grandori Rita⁶,Scoles Giacinto¹,Soler Miguel A.¹⁷^ORCID,Corazza Alessandra¹,Fortuna Sara¹⁷⁸^ORCID

Affiliation:

1. Department of Medicine, University of Udine, Piazzale M. Kolbe 4, 33100 – Udine, Italy

2. Departamento de Física Aplicada, Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional (Cinvestav), Unidad Mérida, Apartado Postal 73 “Cordemex”, 97310, Mérida, Mexico

3. Department of Molecular Sciences and Nanosystems, Ca’ Foscari University of Venice, Campus Scientifico – Via Torino 155, 30172 Mestre, Italy

4. Centre for Protein Engineering, InBios, Department of Life Sciences, University of Liege, Liege, Belgium

5. Department of Pharmacy – University of Naples “Federico II”, 80134, Naples, Italy

6. Department of Biotechnology and Biosciences, University of Milano-Bicocca, Piazza della Scienza, Milan, Italy

7. Italian Institute of Technology (IIT), Via Melen – 83, B Block, 16152 – Genova, Italy

8. Department of Chemical and Pharmaceutical Sciences, University of Trieste, Via L. Giorgieri 1, 34127 Trieste, Italy

Abstract

We compared the ability of in silico generated linear and cyclic peptides to target different binding sites on lysozyme. Results demonstrated that cyclic peptides are optimal for solvent exposed sites, while both topologies can target its pocket.

Funder

Associazione Italiana per la Ricerca sul Cancro

Royal Society of Chemistry

Abdus Salam International Centre for Theoretical Physics

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP02536H

Reference68 articles.

1. Protein–peptide docking: opportunities and challenges