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
| Autor: | Rodrigo Jardim, Melise Chaves Silveira, Leandro de Mattos Pereira, Antonio Basílio de Miranda, Rangeline Azevedo da Silva |
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| Rok vydání: | 2018 |
| Předmět: |
0301 basic medicine
Enzyme Metabolism lcsh:Medicine Plant Science Pathology and Laboratory Medicine Biochemistry Genome Anti-Infective Agents Solanum lycopersicum Drug Discovery Medicine and Health Sciences Enzyme Chemistry lcsh:Science Fungal Pathogens chemistry.chemical_classification Genetics Multidisciplinary Drug discovery Plant Fungal Pathogens Eukaryota food and beverages Plants Enzyme structure Enzymes Aspergillus Experimental Organism Systems Medical Microbiology Aspergillus Flavus Genome Fungal Pathogens Research Article Crops Agricultural In silico 030106 microbiology Plant Pathogens Mycology Biology Research and Analysis Methods Zea mays Microbiology 03 medical and health sciences Model Organisms Plant and Algal Models Animals Humans Computer Simulation Grasses Pesticides Microbial Pathogens Gene Plant Diseases Bacteria lcsh:R fungi Fungi Organisms Biology and Life Sciences Proteins Plant Pathology biology.organism_classification Molds (Fungi) Maize Plant Breeding 030104 developmental biology Enzyme chemistry Enzyme Structure Enzymology lcsh:Q Soybeans Solanum Genome Bacterial Catalases |
| Zdroj: | PLoS ONE, Vol 13, Iss 5, p e0197511 (2018) PLoS ONE |
| ISSN: | 1932-6203 |
| DOI: | 10.1371/journal.pone.0197511 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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