Theophylline: Old Drug in a New Light, Application in COVID-19 through Computational Studies
Theophylline (3-methyxanthine) is a historically prominent drug used to treat respiratory diseases, alone or in combination with other drugs. The rapid onset of the COVID-19 pandemic urged the development of effective pharmacological treatments to directly attack the development of new variants of t...
| Main Authors: | , , , , , , , , , , , , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2022-04-01
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| Series: | International Journal of Molecular Sciences |
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| Online Access: | https://www.mdpi.com/1422-0067/23/8/4167 |
| _version_ | 1797434566269468672 |
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| author | Luis M. Montaño Bettina Sommer Juan C. Gomez-Verjan Genaro S. Morales-Paoli Gema Lizbeth Ramírez-Salinas Héctor Solís-Chagoyán Zuly A. Sanchez-Florentino Eduardo Calixto Gloria E. Pérez-Figueroa Rohan Carter Ruth Jaimez-Melgoza Bianca S. Romero-Martínez Edgar Flores-Soto |
| author_facet | Luis M. Montaño Bettina Sommer Juan C. Gomez-Verjan Genaro S. Morales-Paoli Gema Lizbeth Ramírez-Salinas Héctor Solís-Chagoyán Zuly A. Sanchez-Florentino Eduardo Calixto Gloria E. Pérez-Figueroa Rohan Carter Ruth Jaimez-Melgoza Bianca S. Romero-Martínez Edgar Flores-Soto |
| author_sort | Luis M. Montaño |
| collection | DOAJ |
| description | Theophylline (3-methyxanthine) is a historically prominent drug used to treat respiratory diseases, alone or in combination with other drugs. The rapid onset of the COVID-19 pandemic urged the development of effective pharmacological treatments to directly attack the development of new variants of the SARS-CoV-2 virus and possess a therapeutical battery of compounds that could improve the current management of the disease worldwide. In this context, theophylline, through bronchodilatory, immunomodulatory, and potentially antiviral mechanisms, is an interesting proposal as an adjuvant in the treatment of COVID-19 patients. Nevertheless, it is essential to understand how this compound could behave against such a disease, not only at a pharmacodynamic but also at a pharmacokinetic level. In this sense, the quickest approach in drug discovery is through different computational methods, either from network pharmacology or from quantitative systems pharmacology approaches. In the present review, we explore the possibility of using theophylline in the treatment of COVID-19 patients since it seems to be a relevant candidate by aiming at several immunological targets involved in the pathophysiology of the disease. Theophylline down-regulates the inflammatory processes activated by SARS-CoV-2 through various mechanisms, and herein, they are discussed by reviewing computational simulation studies and their different applications and effects. |
| first_indexed | 2024-03-09T10:34:09Z |
| format | Article |
| id | doaj.art-6f7cb28cd998479aa8c07f4340585138 |
| institution | Directory Open Access Journal |
| issn | 1661-6596 1422-0067 |
| language | English |
| last_indexed | 2024-03-09T10:34:09Z |
| publishDate | 2022-04-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | International Journal of Molecular Sciences |
| spelling | doaj.art-6f7cb28cd998479aa8c07f43405851382023-12-01T21:02:36ZengMDPI AGInternational Journal of Molecular Sciences1661-65961422-00672022-04-01238416710.3390/ijms23084167Theophylline: Old Drug in a New Light, Application in COVID-19 through Computational StudiesLuis M. Montaño0Bettina Sommer1Juan C. Gomez-Verjan2Genaro S. Morales-Paoli3Gema Lizbeth Ramírez-Salinas4Héctor Solís-Chagoyán5Zuly A. Sanchez-Florentino6Eduardo Calixto7Gloria E. Pérez-Figueroa8Rohan Carter9Ruth Jaimez-Melgoza10Bianca S. Romero-Martínez11Edgar Flores-Soto12Departamento de Farmacología, Facultad de Medicina, Universidad Nacional Autónoma de México, Ciudad de México 04510, CP, MexicoLaboratorio de Hiperreactividad Bronquial, Instituto Nacional de Enfermedades Respiratorias “Ismael Cosío Villegas”, Ciudad de México 14080, CP, MexicoDirección de Investigación, Instituto Nacional de Geriatría, Ciudad de México 10200, CP, MexicoDirección de Investigación, Instituto Nacional de Geriatría, Ciudad de México 10200, CP, MexicoLaboratorio de Diseño y Desarrollo de Nuevos Fármacos e Innovación Biotecnológica (Laboratory for the Design and Development of New Drugs and Biotechnological Innovation), Escuela Superior de Medicina, Instituto Politécnico Nacional, Plan de San Luis y Díaz Mirón S/N, Col. Santo Tomas, Ciudad de México 11340, CP, MexicoLaboratorio de Neurofarmacología, Instituto Nacional de Psiquiatría “Ramón de la Fuente Muñiz”, Ciudad de México 14370, CP, MexicoLaboratorio de Neurofarmacología, Instituto Nacional de Psiquiatría “Ramón de la Fuente Muñiz”, Ciudad de México 14370, CP, MexicoDepartamento de Neurobiología, Dirección de Investigación en Neurociencias, Instituto Nacional de Psiquiatría “Ramón de la Fuente Muñiz”, Ciudad de México 14370, CP, MexicoInstituto Nacional de Neurología y Neurocirugía, Unidad Periférica en el Estudio de la Neuroinflamación en Patologías Neurológicas, Ciudad de México 06720, CP, MexicoFRACGP/MBBS, Murchison Outreach Service Mount Magnet Western Australia, Mount Magnet, WA 6530, AustraliaDepartamento de Farmacología, Facultad de Medicina, Universidad Nacional Autónoma de México, Ciudad de México 04510, CP, MexicoDepartamento de Farmacología, Facultad de Medicina, Universidad Nacional Autónoma de México, Ciudad de México 04510, CP, MexicoDepartamento de Farmacología, Facultad de Medicina, Universidad Nacional Autónoma de México, Ciudad de México 04510, CP, MexicoTheophylline (3-methyxanthine) is a historically prominent drug used to treat respiratory diseases, alone or in combination with other drugs. The rapid onset of the COVID-19 pandemic urged the development of effective pharmacological treatments to directly attack the development of new variants of the SARS-CoV-2 virus and possess a therapeutical battery of compounds that could improve the current management of the disease worldwide. In this context, theophylline, through bronchodilatory, immunomodulatory, and potentially antiviral mechanisms, is an interesting proposal as an adjuvant in the treatment of COVID-19 patients. Nevertheless, it is essential to understand how this compound could behave against such a disease, not only at a pharmacodynamic but also at a pharmacokinetic level. In this sense, the quickest approach in drug discovery is through different computational methods, either from network pharmacology or from quantitative systems pharmacology approaches. In the present review, we explore the possibility of using theophylline in the treatment of COVID-19 patients since it seems to be a relevant candidate by aiming at several immunological targets involved in the pathophysiology of the disease. Theophylline down-regulates the inflammatory processes activated by SARS-CoV-2 through various mechanisms, and herein, they are discussed by reviewing computational simulation studies and their different applications and effects.https://www.mdpi.com/1422-0067/23/8/4167theophyllineCOVID-19SARS-CoV-2immunomodulatory effectsantiviral activitymolecular docking |
| spellingShingle | Luis M. Montaño Bettina Sommer Juan C. Gomez-Verjan Genaro S. Morales-Paoli Gema Lizbeth Ramírez-Salinas Héctor Solís-Chagoyán Zuly A. Sanchez-Florentino Eduardo Calixto Gloria E. Pérez-Figueroa Rohan Carter Ruth Jaimez-Melgoza Bianca S. Romero-Martínez Edgar Flores-Soto Theophylline: Old Drug in a New Light, Application in COVID-19 through Computational Studies International Journal of Molecular Sciences theophylline COVID-19 SARS-CoV-2 immunomodulatory effects antiviral activity molecular docking |
| title | Theophylline: Old Drug in a New Light, Application in COVID-19 through Computational Studies |
| title_full | Theophylline: Old Drug in a New Light, Application in COVID-19 through Computational Studies |
| title_fullStr | Theophylline: Old Drug in a New Light, Application in COVID-19 through Computational Studies |
| title_full_unstemmed | Theophylline: Old Drug in a New Light, Application in COVID-19 through Computational Studies |
| title_short | Theophylline: Old Drug in a New Light, Application in COVID-19 through Computational Studies |
| title_sort | theophylline old drug in a new light application in covid 19 through computational studies |
| topic | theophylline COVID-19 SARS-CoV-2 immunomodulatory effects antiviral activity molecular docking |
| url | https://www.mdpi.com/1422-0067/23/8/4167 |
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