Mining of potential drug targets through the identification of essential and analogous enzymes in the genomes of pathogens of Glycine max, Zea mays and Solanum lycopersicum

Pesticides are one of the most widely used pest and disease control measures in plant crops and their indiscriminate use poses a direct risk to the health of populations and environment around the world. As a result, there is a great need for the development of new, less toxic molecules to be employ...

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Bibliographic Details
Published in:PloS one 2018-05, Vol.13 (5), p.e0197511
Main Authors: da Silva, Rangeline Azevedo, Pereira, Leandro de Mattos, Silveira, Melise Chaves, Jardim, Rodrigo, de Miranda, Antonio Basilio
Format: Article
Language:English
Subjects:
Amino acids
Animals
Anti-Infective Agents - chemistry
Anti-Infective Agents - pharmacology
Apis mellifera
Bacillus subtilis
Bacteria - drug effects
Bacteria - enzymology
Bacteria - genetics
Biology and Life Sciences
Carbohydrate metabolism
Carbohydrates
Computer Simulation
Consumption
Corn
Crops, Agricultural - microbiology
Datasets
Disease control
Diseases and pests
Drug Discovery
E coli
Enzymatic activity
Enzymes
Escherichia coli
Fungi
Fungi - drug effects
Fungi - enzymology
Fungi - genetics
Genetic aspects
Genome, Bacterial
Genome, Fungal
Genomes
Glycine max
Glycine max - microbiology
Health aspects
Health risks
Homo sapiens
Homology
Humans
Medicine and Health Sciences
Metabolism
Mining
Molecular chains
Organisms
Oxidative stress
Parasites
Pathogens
Pest control
Pesticides
Pesticides - pharmacology
Pesticides - toxicity
Physiological aspects
Phytopathogenic bacteria
Phytopathogenic fungi
Plant Breeding
Plant diseases
Plant Diseases - microbiology
Plant Diseases - prevention & control
Protein structure
Proteins
Pseudomonas syringae
Research and Analysis Methods
Solanum lycopersicum
Solanum lycopersicum - microbiology
Soybeans
Structural forms
Target recognition
Tertiary structure
Tomatoes
Trichoderma harzianum
Zea mays
Zea mays - microbiology
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Summary:Pesticides are one of the most widely used pest and disease control measures in plant crops and their indiscriminate use poses a direct risk to the health of populations and environment around the world. As a result, there is a great need for the development of new, less toxic molecules to be employed against plant pathogens. In this work, we employed an in silico approach to study the genes coding for enzymes of the genomes of three commercially important plants, soybean (Glycine max), tomato (Solanum lycopersicum) and corn (Zea mays), as well as 15 plant pathogens (4 bacteria and 11 fungi), focusing on revealing a set of essential and non-homologous isofunctional enzymes (NISEs) that could be prioritized as drug targets. By combining sequence and structural data, we obtained an initial set of 568 cases of analogy, of which 97 were validated and further refined, revealing a subset of 29 essential enzymatic activities with a total of 119 different structural forms, most belonging to central metabolic routes, including the carbohydrate metabolism, the metabolism of amino acids, among others. Further, another subset of 26 enzymatic activities possess a tertiary structure specific for the pathogen, not present in plants, men and Apis mellifera, which may be of importance for the development of specific enzymatic inhibitors against plant diseases that are less harmful to humans and the environment.
ISSN:1932-6203
1932-6203
DOI:10.1371/journal.pone.0197511