Large-Scale Analysis of Antimicrobial Activities in Relation to Amphipathicity and Charge Reveals Novel Characterization of Antimicrobial Peptides

It has been unclear to which antimicrobial activities (e.g., anti-gram-positive bacterial, anti-gram-negative bacterial, antifungal, antiparasitic, and antiviral activities) of antimicrobial peptides (AMPs) a given physiochemical property matters most. This is the first computational study using lar...

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Bibliographic Details
Published in:Molecules (Basel, Switzerland) Switzerland), 2017-11, Vol.22 (11), p.2037
Main Authors: Wang, Chien-Kuo, Shih, Ling-Yi, Chang, Kuan Y
Format: Article
Language:English
Subjects:
amphipathicity
Anti-Infective Agents - chemistry
Anti-Infective Agents - pharmacology
Antifungal activity
Antifungal Agents - chemistry
Antifungal Agents - pharmacology
antimicrobial activities
Antimicrobial agents
Antimicrobial Cationic Peptides - chemistry
Antimicrobial Cationic Peptides - pharmacology
Antimicrobial peptides
Bacteria
Computer applications
Fungicides
Gram-negative bacteria
Gram-Negative Bacteria - drug effects
Gram-positive bacteria
Gram-Positive Bacteria - drug effects
Hypotheses
net charge
Peptides
Physiochemistry
Trends
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Summary:It has been unclear to which antimicrobial activities (e.g., anti-gram-positive bacterial, anti-gram-negative bacterial, antifungal, antiparasitic, and antiviral activities) of antimicrobial peptides (AMPs) a given physiochemical property matters most. This is the first computational study using large-scale AMPs to examine the relationships between antimicrobial activities and two major physiochemical properties of AMPs-amphipathicity and net charge. The results showed that among all kinds of antimicrobial activities, amphipathicity and net charge best differentiated between AMPs with and without anti-gram-negative bacterial activities. In terms of amphipathicity and charge, all the AMPs whose activities were significantly associated with amphipathicity and net charge were alike except those with anti-gram-positive bacterial activities. Furthermore, the higher the amphipathic value, the greater the proportion of AMPs possessing both antibacterial and antifungal activities. This dose-response-like pattern suggests a possible causal relationship-dual antibacterial and antifungal activities of AMPs may be attributable to amphipathicity. These novel findings could be useful for identifying potent AMPs computationally.
ISSN:1420-3049
1420-3049
DOI:10.3390/molecules22112037