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Appl Biochem Biotechnol ; 194(1): 37-53, 2022 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-34762267

RESUMEN

In the Asian region, Helicobacter pylori infects about 80% populations, which is most leading cause of peptic ulcers, and it is an asymptomatic infection. Studies reported that the particular bacteria carry specific virulence factors that leads to severe complications. These virulence factors can be used as a drug targets to inhibit their growth and pathogenicity. Chronic infection with H. pylori virulence factors are CagA, VacA and HtrA positive strains the risk factor of gastric cancer. In this study, we aimed to study the antagonistic interaction pattern between the potential eight algal peptides against the virulence factors of H. pylori through in silico analysis intended to treat peptic ulcer and prevent the further complications such as cancer. The proteins of virulent factors are docked using C-Docker algorithm and calculated the bind energy of the complexes. The results showed that the peptide derived from a green alga, Tetradesmus sp. are active against the three virulent factors such as cag-A, vac-A, and Htr-A with multiple hydrogen, vdW, electrostatic interactions, and mild π-hydrophobic bindings with the libdock energy score for CagA, VacA and HtrA are 175.625, 158.603 and 89.397 kcal/mol. These primes and the peptide lead to develop a better and potential inhibitors against H. pylori infection.


Asunto(s)
Proteínas Algáceas/química , Proteínas Bacterianas , Chlorophyta/química , Helicobacter pylori , Péptidos/química , Factores de Virulencia , Proteínas Algáceas/farmacología , Proteínas Bacterianas/antagonistas & inhibidores , Proteínas Bacterianas/química , Simulación por Computador , Helicobacter pylori/química , Helicobacter pylori/patogenicidad , Péptidos/farmacología , Factores de Virulencia/antagonistas & inhibidores , Factores de Virulencia/química
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