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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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| Published in: | PloS one 2018-05, Vol.13 (5), p.e0197511 |
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| cited_by | cdi_FETCH-LOGICAL-c692t-e2bb11c1fb4410db75eb6edfe529064d83d0fe9124107e28be7b3362791808163 |
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| cites | cdi_FETCH-LOGICAL-c692t-e2bb11c1fb4410db75eb6edfe529064d83d0fe9124107e28be7b3362791808163 |
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| container_issue | 5 |
| container_start_page | e0197511 |
| container_title | PloS one |
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| creator | da Silva, Rangeline Azevedo Pereira, Leandro de Mattos Silveira, Melise Chaves Jardim, Rodrigo de Miranda, Antonio Basilio |
| description | 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. |
| doi_str_mv | 10.1371/journal.pone.0197511 |
| format | article |
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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.</description><identifier>ISSN: 1932-6203</identifier><identifier>EISSN: 1932-6203</identifier><identifier>DOI: 10.1371/journal.pone.0197511</identifier><identifier>PMID: 29799863</identifier><language>eng</language><publisher>United States: Public Library of Science</publisher><subject>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</subject><ispartof>PloS one, 2018-05, Vol.13 (5), p.e0197511</ispartof><rights>COPYRIGHT 2018 Public Library of Science</rights><rights>2018 Silva et al. This is an open access article distributed under the terms of the Creative Commons Attribution License: http://creativecommons.org/licenses/by/4.0/ (the “License”), which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. 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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. 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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.</abstract><cop>United States</cop><pub>Public Library of Science</pub><pmid>29799863</pmid><doi>10.1371/journal.pone.0197511</doi><tpages>e0197511</tpages><orcidid>https://orcid.org/0000-0001-6903-1137</orcidid><oa>free_for_read</oa></addata></record> |
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| identifier | ISSN: 1932-6203 |
| ispartof | PloS one, 2018-05, Vol.13 (5), p.e0197511 |
| issn | 1932-6203 1932-6203 |
| language | eng |
| recordid | cdi_plos_journals_2044300515 |
| source | Publicly Available Content Database; PubMed Central |
| 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 |
| title | 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 |
| url | http://sfxeu10.hosted.exlibrisgroup.com/loughborough?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2024-09-23T00%3A15%3A26IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-gale_plos_&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Mining%20of%20potential%20drug%20targets%20through%20the%20identification%20of%20essential%20and%20analogous%20enzymes%20in%20the%20genomes%20of%20pathogens%20of%20Glycine%20max,%20Zea%20mays%20and%20Solanum%20lycopersicum&rft.jtitle=PloS%20one&rft.au=da%20Silva,%20Rangeline%20Azevedo&rft.date=2018-05-25&rft.volume=13&rft.issue=5&rft.spage=e0197511&rft.pages=e0197511-&rft.issn=1932-6203&rft.eissn=1932-6203&rft_id=info:doi/10.1371/journal.pone.0197511&rft_dat=%3Cgale_plos_%3EA540296283%3C/gale_plos_%3E%3Cgrp_id%3Ecdi_FETCH-LOGICAL-c692t-e2bb11c1fb4410db75eb6edfe529064d83d0fe9124107e28be7b3362791808163%3C/grp_id%3E%3Coa%3E%3C/oa%3E%3Curl%3E%3C/url%3E&rft_id=info:oai/&rft_pqid=2044300515&rft_id=info:pmid/29799863&rft_galeid=A540296283&rfr_iscdi=true |