discovery of biomarkers for the accurate and sensitive detection of .

Front Bioinform

Environmental Biotechnology Laboratory, Department of Biotechnology, University of the Western Cape, Bellville, South Africa.

Published: September 2022

is worrisome because it severely threatens the agricultural productivity of certain crops such as tomatoes and peas, causing the general decline, wilting, and root necrosis. It has also been implicated in the infection of the human eye cornea. It is believed that early detection of the fungus could save these crops from the destructive activities of the fungus through early biocontrol measures. Therefore, the present work aimed to build a sensitive model of novel anti- antimicrobial peptides (AMPs) against the fungal cutinase 1 (CUT1) protein for early, sensitive and accurate detection. CUT1 receptor protein 2D secondary structure, model validation, and functional motifs were predicted. Subsequently, anti- AMPs were retrieved, and the HMMER algorithm was used to construct a model of the AMPs. After their structure predictions, the interaction analysis was analyzed for the CUT1 protein and the generated AMPs. The putative anti- AMPs bound the CUT1 protein very tightly, with OOB4 having the highest binding energy potential for HDock. The pyDockWeb generated high electrostatic, desolvation, and low van der Waals energies for all the AMPs against CUT1 protein, with OOB1 having the most significant interaction. The results suggested the utilization of AMPs for the timely intervention, control, and management of these crops, as mentioned earlier, to improve their agricultural productivity and reduce their economic loss and the use of HMMER for constructing models for disease detection.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9580926PMC
http://dx.doi.org/10.3389/fbinf.2022.972529DOI Listing

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