Spectroscopic, zeta potential and molecular dynamics studies of the interaction of antimicrobial peptides with model bacterial membrane

Bogdanova, L. R.; Valiullina, Yu. A.; Faizullin, Dzhigangir A.; Kurbanov, R. Kh.; Ермакова, Елена

doi:10.1016/j.saa.2020.118785

Cited by 29 publications

(12 citation statements)

References 31 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Molecular Dynamics (MD) simulations are a useful tool to investigate peptide-lipid bilayer interaction at atomic resolution. The interactions of different peptides with membrane, such as BMAP-28 and its analog [ 27 ], cathelicidins [ 28 ], magainin [ 29 ], Pin2 and its variant Pin2[GVG] [ 30 ], maculatin 1.1 [ 31 ], and megin peptide (M1) [ 32 ] revealed important molecular details and biomolecular processes. The conventional MD method modeled the system using residues with constant charges, not sampling the protonation states of titrable residues.…”

Section: Introductionmentioning

confidence: 99%

Modulatory Effects of Acidic pH and Membrane Potential on the Adsorption of pH-Sensitive Peptides to Anionic Lipid Membrane

et al. 2021

View full text Add to dashboard Cite

Anionic lipid membrane electrostatic potential and solution pH can influence cationic peptide adsorption to these bilayers, especially those containing simultaneously acid and basic residues. Here, we investigate the effects of the pH solution on MP1 (IDWKKLLDAAKQIL-NH2) adsorption to anionic (7POPC:3POPG) lipid vesicles in comparison to its analog H-MP1, with histidines substituting lysines. We used the association of adsorption isotherms and constant pH molecular dynamic simulations (CpHMD) to explore the effects of membrane potential and pH on peptides’ adsorption on this lipid membrane. We analyzed the fluorescence and zeta potential adsorption isotherms using the Gouy–Chapman theory. In CpHMD simulations for the peptides in solution and adsorbed on the lipid bilayer, we used the conformations obtained by conventional MD simulations at a μs timescale. Non-equilibrium Monte Carlo simulations provided the protonation states of acidic and basic residues. CpHMD showed average pKa shifts of two to three units, resulting in a higher net charge for the analog than for MP1, strongly modulating the peptide adsorption. The fractions of the protonation of acidic and basic residues and the peptides’ net charges obtained from the analysis of the adsorption isotherms were in reasonable agreement with those from CpHMD. MP1 adsorption was almost insensitive to solution pH. H-MP1 was much more sensitive to partitioning, at acidic pH, with an affinity ten times higher than in neutral ones.

show abstract

Section: Introductionmentioning

confidence: 99%

Modulatory Effects of Acidic pH and Membrane Potential on the Adsorption of pH-Sensitive Peptides to Anionic Lipid Membrane

et al. 2021

View full text Add to dashboard Cite

show abstract

“…Similarly, the carpet-like mechanism of megin peptide was determined by MD in combination with spectroscopy and zeta potential [ 562 ]. The mechanism of protegrin-1 (PG-1) pore formation was also determined by multistep MD studies that revealed the insertion, translocation, and induction of the pore [ 563 ]. The differential interactions of LL37 with a mimick of bacterial (POPG) and mammalian (POPC) membranes were determined using MD studies [ 564 ].…”

Section: Prediction Functionality In Amp Databasesmentioning

confidence: 99%

Antimicrobial Peptides: An Update on Classifications and Databases

Hafeez

Jiang

Bergen

et al. 2021

IJMS

155

142

View full text Add to dashboard Cite

Antimicrobial peptides (AMPs) are distributed across all kingdoms of life and are an indispensable component of host defenses. They consist of predominantly short cationic peptides with a wide variety of structures and targets. Given the ever-emerging resistance of various pathogens to existing antimicrobial therapies, AMPs have recently attracted extensive interest as potential therapeutic agents. As the discovery of new AMPs has increased, many databases specializing in AMPs have been developed to collect both fundamental and pharmacological information. In this review, we summarize the sources, structures, modes of action, and classifications of AMPs. Additionally, we examine current AMP databases, compare valuable computational tools used to predict antimicrobial activity and mechanisms of action, and highlight new machine learning approaches that can be employed to improve AMP activity to combat global antimicrobial resistance.

show abstract

“…This layer of AMPs then disrupts the order of lipids present on the bacterial cell membrane, which facilitates the entry of water molecules into the cell membrane. As a result, the cell membrane disrupts, and cell death occurs (Bogdanova et al, 2020; Li, Mei, et al, 2021). The fourth model is a detergent‐like model where positively charged AMPs directly interact with the negatively charged cell membranes and form a strong parallel connection on the surface.…”

Section: Chemistry Of the Antimicrobial Compoundsmentioning

confidence: 99%

Biopolymer‐based antimicrobial coatings for aquatic food products: A review

Chakraborty

Nath

Hoque

et al. 2022

Food Processing Preservation

View full text Add to dashboard Cite

Aquatic food products, including fish and crustaceans, are some of the most consumed foods globally and are highly prone to microbial contamination. Such products have been preserved using conventional processing techniques such as freezing, cold storage, modified atmospheric packaging (MAP), and vacuum packaging. However, these techniques have been used since decades and are not cost‐effective. Therefore, alternative sustainable strategies need to be explored. One viable option is the application of biopolymer‐based films and coatings loaded with active antimicrobial agents (peptides and essential oil components) for the preservation of aquatic food products. Nisin is the most widely used peptide for the development of antimicrobial coatings, while eugenol, carvacrol, and cinnamaldehyde are among the most popular essential oil compounds. Findings reveal that both peptides and essential oils, when applied in combination within a coating system, demonstrate robust antimicrobial activity, delayed lipid oxidation, and retain the overall quality of the aquatic food system. Novelty impact statement Antimicrobial‐based coating systems have recently gained worldwide attention due to their ability to delay food contamination and maintain product quality throughout the storage period. This review provides a comprehensive description of peptide and essential oil‐loaded coating systems and their application in the shelf‐life extension of aquatic food products. In addition, the application of nanocomposite systems for the preservation of aquatic foods has been discussed.

show abstract

Spectroscopic, zeta potential and molecular dynamics studies of the interaction of antimicrobial peptides with model bacterial membrane

Cited by 29 publications

References 31 publications

Modulatory Effects of Acidic pH and Membrane Potential on the Adsorption of pH-Sensitive Peptides to Anionic Lipid Membrane

Modulatory Effects of Acidic pH and Membrane Potential on the Adsorption of pH-Sensitive Peptides to Anionic Lipid Membrane

Antimicrobial Peptides: An Update on Classifications and Databases

Biopolymer‐based antimicrobial coatings for aquatic food products: A review

Contact Info

Product

Resources

About