Natural Products as New Treatment Options for Trichomoniasis: A Molecular Docking Investigation
Trichomoniasis, caused by the parasitic protozoan Trichomonas vaginalis, is the most common non-viral sexually-transmitted disease, and there can be severe complications from trichomoniasis. Antibiotic resistance in T. vaginalis is increasing, but there are currently no alternatives treatment option...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2017-01-01
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| Series: | Scientia Pharmaceutica |
| Subjects: | |
| Online Access: | http://www.mdpi.com/2218-0532/85/1/5 |
| _version_ | 1798041860392878080 |
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| author | Mary Snow Setzer Kendall G. Byler Ifedayo Victor Ogungbe William N. Setzer |
| author_facet | Mary Snow Setzer Kendall G. Byler Ifedayo Victor Ogungbe William N. Setzer |
| author_sort | Mary Snow Setzer |
| collection | DOAJ |
| description | Trichomoniasis, caused by the parasitic protozoan Trichomonas vaginalis, is the most common non-viral sexually-transmitted disease, and there can be severe complications from trichomoniasis. Antibiotic resistance in T. vaginalis is increasing, but there are currently no alternatives treatment options. There is a need to discover and develop new chemotherapeutic alternatives. Plant-derived natural products have long served as sources for new medicinal agents, as well as new leads for drug discovery and development. In this work, we have carried out an in silico screening of 952 antiprotozoal phytochemicals with specific protein drug targets of T. vaginalis. A total of 42 compounds showed remarkable docking properties to T. vaginalis methionine gamma-lyase (TvMGL) and to T. vaginalis purine nucleoside phosphorylase (TvPNP). The most promising ligands were polyphenolic compounds, and several of these showed docking properties superior to either co-crystallized ligands or synthetic enzyme inhibitors. |
| first_indexed | 2024-04-11T22:27:28Z |
| format | Article |
| id | doaj.art-780131267f3c4722894e03d629aceaec |
| institution | Directory Open Access Journal |
| issn | 2218-0532 |
| language | English |
| last_indexed | 2024-04-11T22:27:28Z |
| publishDate | 2017-01-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Scientia Pharmaceutica |
| spelling | doaj.art-780131267f3c4722894e03d629aceaec2022-12-22T03:59:36ZengMDPI AGScientia Pharmaceutica2218-05322017-01-01851510.3390/scipharm85010005scipharm85010005Natural Products as New Treatment Options for Trichomoniasis: A Molecular Docking InvestigationMary Snow Setzer0Kendall G. Byler1Ifedayo Victor Ogungbe2William N. Setzer3Department of Chemistry, University of Alabama in Huntsville, Huntsville, AL 35899, USADepartment of Chemistry, University of Alabama in Huntsville, Huntsville, AL 35899, USADepartment of Chemistry & Biochemistry, Jackson State University, Jackson, MS 39217, USADepartment of Chemistry, University of Alabama in Huntsville, Huntsville, AL 35899, USATrichomoniasis, caused by the parasitic protozoan Trichomonas vaginalis, is the most common non-viral sexually-transmitted disease, and there can be severe complications from trichomoniasis. Antibiotic resistance in T. vaginalis is increasing, but there are currently no alternatives treatment options. There is a need to discover and develop new chemotherapeutic alternatives. Plant-derived natural products have long served as sources for new medicinal agents, as well as new leads for drug discovery and development. In this work, we have carried out an in silico screening of 952 antiprotozoal phytochemicals with specific protein drug targets of T. vaginalis. A total of 42 compounds showed remarkable docking properties to T. vaginalis methionine gamma-lyase (TvMGL) and to T. vaginalis purine nucleoside phosphorylase (TvPNP). The most promising ligands were polyphenolic compounds, and several of these showed docking properties superior to either co-crystallized ligands or synthetic enzyme inhibitors.http://www.mdpi.com/2218-0532/85/1/5emerging infectious diseaseTrichomonas vaginalisin silicodrug discovery |
| spellingShingle | Mary Snow Setzer Kendall G. Byler Ifedayo Victor Ogungbe William N. Setzer Natural Products as New Treatment Options for Trichomoniasis: A Molecular Docking Investigation Scientia Pharmaceutica emerging infectious disease Trichomonas vaginalis in silico drug discovery |
| title | Natural Products as New Treatment Options for Trichomoniasis: A Molecular Docking Investigation |
| title_full | Natural Products as New Treatment Options for Trichomoniasis: A Molecular Docking Investigation |
| title_fullStr | Natural Products as New Treatment Options for Trichomoniasis: A Molecular Docking Investigation |
| title_full_unstemmed | Natural Products as New Treatment Options for Trichomoniasis: A Molecular Docking Investigation |
| title_short | Natural Products as New Treatment Options for Trichomoniasis: A Molecular Docking Investigation |
| title_sort | natural products as new treatment options for trichomoniasis a molecular docking investigation |
| topic | emerging infectious disease Trichomonas vaginalis in silico drug discovery |
| url | http://www.mdpi.com/2218-0532/85/1/5 |
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