About: Prediction of Antimicrobial Potential of a Chemically Modified Peptide From Its Tertiary Structure

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type	Academic Article research paper schema:ScholarlyArticle
isDefinedBy	Covid-on-the-Web dataset
title	Prediction of Antimicrobial Potential of a Chemically Modified Peptide From Its Tertiary Structure
Creator	Agrawal, Piyush Raghava, Gajendra Bosco, Dom Farias, William Franco, Octavio »more»
source	PMC
abstract	Designing novel antimicrobial peptides is a hot area of research in the field of therapeutics especially after the emergence of resistant strains against the conventional antibiotics. In the past number of in silico methods have been developed for predicting the antimicrobial property of the peptide containing natural residues. This study describes models developed for predicting the antimicrobial property of a chemically modified peptide. Our models have been trained, tested and evaluated on a dataset that contains 948 antimicrobial and 931 non-antimicrobial peptides, containing chemically modified and natural residues. Firstly, the tertiary structure of all peptides has been predicted using software PEPstrMOD. Structure analysis indicates that certain type of modifications enhance the antimicrobial property of peptides. Secondly, a wide range of features was computed from the structure of these peptides using software PaDEL. Finally, models were developed for predicting the antimicrobial potential of chemically modified peptides using a wide range of structural features of these peptides. Our best model based on support vector machine achieve maximum MCC of 0.84 with an accuracy of 91.62% on training dataset and MCC of 0.80 with an accuracy of 89.89% on validation dataset. To assist the scientific community, we have developed a web server called “AntiMPmod” which predicts the antimicrobial property of the chemically modified peptide. The web server is present at the following link (http://webs.iiitd.edu.in/raghava/antimpmod/).
has issue date	2018-10-26(xsd:dateTime)
bibo:doi	10.3389/fmicb.2018.02551
bibo:pmid	30416494
has license	cc-by
sha1sum (hex)	ca1f90fcd49058d95c081f507c5496b6b962c982
schema:url	https://doi.org/10.3389/fmicb.2018.02551
resource representing a document's title	Prediction of Antimicrobial Potential of a Chemically Modified Peptide From Its Tertiary Structure
has PubMed Central identifier	PMC6212470
has PubMed identifier	30416494
schema:publication	Front Microbiol
resource representing a document's body	covid:ca1f90fcd49058d95c081f507c5496b6b962c982#body_text
is schema:about of	named entity 'IS A' named entity 'TYPE' named entity 'USING' named entity 'ENHANCE' named entity 'RANGE' »more»

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