Design of Casocidin-II Mutation Variants as Antibacterial Candidates against Helicobacter pylori using Bioinformatic Approaches

Prasetya, Yulianto Ade and Kok, Tjie (2025) Design of Casocidin-II Mutation Variants as Antibacterial Candidates against Helicobacter pylori using Bioinformatic Approaches. Media Pharmaceutica Indonesiana (MPI), 7 (2). pp. 169-181. ISSN 2527-6298; e-ISSN 2527-9017

PDF Design of Casocidin-II Mutation Variants.pdf Download (1MB)

Abstract

Helicobacter pylori infects about 50% of the global population, with high prevalence in Indonesia, particularly in East Nusa Tenggara (51.4%) and Papua (30.7%). If untreated, this infection can cause gastritis, ulcers, and even gastric cancer. Due to rising antibiotic resistance to this bacterium, alternative treatments are needed. Casocidin-II, an antimicrobial peptide from cows milk (Bos taurus), has antibacterial potential but it is unstable in acidic environments, making it ineffective against H. pylori, which colonizes in the stomach. This research aims to design and analyze Casocidin-II mutations using bioinformatic approaches to improve stability without reducing antibacterial activity. Mutations were conducted using I-Mutant 2.0, and structural modeling was done with PEP-FOLD4. Physicochemi - cal properties were analyzed with ExPASy, and the binding affinity to H. pylori BabA receptor was eva– luated using HADDOCK. Molecular interactions were visualized with ChimeraX. Eight stable Casocidin- II mutants (CAS1–CAS8) were identified, with CAS3 and CAS5 showing the best stability, hydrophilicity, and aliphatic index. Docking results showed CAS3 and CAS7 had the highest binding affinities, -121.70 kcal/mol and -123.24 kcal/mol, respectively. CAS3, with the sequence KTKLTVEEKNRLNFLKKISQRYQK - FALPQYLKTVYQHQK, was the most effective in inhibiting H. pylori growth and is a strong candidate for further laboratory testing. Besides its high affinity and activity, CAS3’s amino acid profile enhaces target binding and membrane penetration. This research demonstrates that bioinformatics can be used in de - signing mutation varians to enhance peptide stability and antibacterial properties. CAS3 is a promising alternative to conventional antibiotics for H. pylori treatment, pending further experimental validation.

Item Type:	Article
Uncontrolled Keywords:	antimicrobial; Casocidin-II; Helicobacter pylori; molecular docking; mutation; peptide
Subjects:	T Technology > T Technology (General)
Divisions:	Faculty of Technobiology > Department of Biology
Depositing User:	Ester Sri W. 196039
Date Deposited:	07 Jan 2026 02:20
Last Modified:	07 Jan 2026 02:20
URI:	http://repository.ubaya.ac.id/id/eprint/50020

Actions (login required)

View Item