Study on the Interaction of Algal Peptides on Virulence Factors of Helicobacter pylori: In Silico Approach

• Published in: Applied biochemistry and biotechnology 2022-01, Vol.194 (1), p.37-53
• Main Authors: MubarakAli, Davoodbasha, Akshaya, Thirusangu, Sathya, Raghunathan, Irfan, Navabshan
• Format: Article
• Language: English
• Subjects: Algae; Algal Proteins - chemistry; Algal Proteins - pharmacology; Algorithms; Aquatic plants; Asymptomatic infection; Bacterial Proteins - antagonists & inhibitors; Bacterial Proteins - chemistry; Biochemistry; Biotechnology; Cancer; Chemistry; Chemistry and Materials Science; Chlorophyta - chemistry; Chronic infection; Computer Simulation; Electrostatic properties; Gastric cancer; Helicobacter pylori; Helicobacter pylori - chemistry; Helicobacter pylori - pathogenicity; Hydrophobicity; Infections; Original; Original Article; Pathogenicity; Pathogens; Peptic ulcers; Peptides; Peptides - chemistry; Peptides - pharmacology; Risk analysis; Risk factors; Therapeutic targets; Trinucleotide repeats; Ulcers; Virulence; Virulence factors; Virulence Factors - antagonists & inhibitors; Virulence Factors - chemistry
• ISSN: 0273-2289; 1559-0291
• DOI: 10.1007/s12010-021-03716-4

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.