Abstract

Abstract

Bacterial infections have become a global concern, stimulating the growing demand for natural and biologically safe therapeutic agents with antibacterial action. This study was evaluated the genotoxicity of the trypsin inhibitor isolated from tamarind seeds (TTI) and the antibacterial effect of TTI theoric model, number 56, and conformation number 287 (TTIp 56/287) and derived peptides in silico. TTI (0.3 and 0.6 mg.mL−1) did not cause genotoxicity in cells (p > 0.05). In silico, a greater interaction of TTIp 56/287 with the Gram-positive membrane (GP) was observed, with an interaction potential energy (IPE) of −1094.97 kcal.mol−1. In the TTIp 56/287-GP interaction, the Arginine, Threonine (Thr), and Lysine residues presented lower IPE. In molecular dynamics (MD), Peptidotrychyme59 (TVSQTPIDIPIGLPVR) showed an IPE of −518.08 kcal.mol−1 with the membrane of GP bacteria, and the Thr and Arginine residues showed the greater IPE. The results highlight new perspectives on TTI and its derived peptides antibacterial activity.

Alternate abstract:

Graphical Abstract

Details

Title
Prospecting in silico antibacterial activity of a peptide from trypsin inhibitor isolated from tamarind seed
Author
Gerciane Silva de Oliveira 1 ; Amanda Maria de Souza Nascimento 1 ; Santana Luz, Anna Beatriz 2 ; Ana Júlia Felipe Camelo Aguiar 2 ; Mayara Santa Rosa Lima 2 ; Lídia Leonize Rodrigues Matias 2 ; Isabel Rodríguez Amado 3 ; Thais Souza Passos 4 ; Karla Suzane Florentino da Silva Chaves Damasceno 4 ; Norberto de Kássio Vieira Monteiro 5 ; Gomes Moreira, Susana Margarida 6 ; Pastrana, Lorenzo 3 ; Ana Heloneida de Araújo Morais 7 

1  Postgraduate Program in Nutrition, Health Sciences Center, Federal University of Rio Grande do Norte , Natal , Brazil 
2  Postgraduate Program in Biochemistry and Molecular Biology, Center for Biosciences, Federal University of Rio Grande do Norte , Natal , Brazil 
3  International Iberian Nanotechnology Laboratory , Braga , Portugal 
4  Postgraduate Program in Nutrition, Health Sciences Center, Federal University of Rio Grande do Norte , Natal , Brazil, Nutrition Department, University Center of Rio Grande do Norte , Natal , Brazil 
5  Analytical Chemistry and Physical Chemistry Department, Science Center, Federal University of Ceará , Fortaleza , Brazil 
6  Postgraduate Program in Biochemistry and Molecular Biology, Center for Biosciences, Federal University of Rio Grande do Norte , Natal , Brazil, The Doctoral Program of Northeast Network in Biotechnology (RENORBIO) , Natal , Brazil 
7  Postgraduate Program in Nutrition, Health Sciences Center, Federal University of Rio Grande do Norte , Natal , Brazil, Postgraduate Program in Biochemistry and Molecular Biology, Center for Biosciences, Federal University of Rio Grande do Norte , Natal , Brazil, Nutrition Department, University Center of Rio Grande do Norte , Natal , Brazil 
Pages
67-83
Publication year
2023
Publication date
Dec 2023
Publisher
Taylor & Francis Ltd.
ISSN
14756366
e-ISSN
14756374
Source type
Scholarly Journal
Language of publication
English
DOI
https://doi.org/10.1080/14756366.2022.2134997
ProQuest document ID
3100774132
Copyright
© 2022 The Author(s). Published by Informa UK Limited, trading as Taylor & Francis Group.. This work is licensed under the Creative Commons Attribution License http://creativecommons.org/licenses/by/4.0/ (the "License"). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.