@article{de oliveira_de souza nascimento_luz_aguiar_santa rosa lima_matias_amado_passos_da silva chaves damasceno_de kássio vieira monteiro_et al._2022, 
  title={Prospecting <i>in silico</i> antibacterial activity of a peptide from trypsin inhibitor isolated from tamarind seed}, 
  DOI={10.6084/m9.figshare.21428020.v1}, 
  abstractNote={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 <i>in silico</i>. TTI (0.3 and 0.6 mg.mL<sup>−1</sup>) did not cause genotoxicity in cells (<i>p</i> &gt; 0.05). <i>In silico</i>, 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<sup>−1</sup>. 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<sup>−1</sup> 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.}, 
  publisher={Taylor & Francis}, 
  author={de Oliveira, Gerciane Silva and de Souza Nascimento, Amanda Maria and Luz, Anna Beatriz Santana and Aguiar, Ana Júlia Felipe Camelo and Santa Rosa Lima, Mayara and Matias, Lídia Leonize Rodrigues and Amado, Isabel Rodríguez and Passos, Thais Souza and da Silva Chaves Damasceno, Karla Suzane Florentino and de Kássio Vieira Monteiro, Norberto and et al.}, 
  year={2022}, 
  month={Oct}
  }