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Theophylline: old drug in a new light, application in COVID-19 through computational studies

dc.creatorMontaño, Luis M.es_ES
dc.creatorSommer, Bettinaes_ES
dc.creatorGomez-Verjan, Juan C.es_ES
dc.creatorMorales-Paoli, Genaro S.es_ES
dc.creatorRamírez-Salinas, Gema Lizbethes_ES
dc.creatorSolís-Chagoyán, Héctores_ES
dc.creatorSanchez-Florentino, Zuly A.es_ES
dc.creatorCalixto, Eduardoes_ES
dc.creatorPérez-Figueroa, Gloria E.es_ES
dc.creatorCarter, Rohanes_ES
dc.creatorJaimez-Melgoza, Ruthes_ES
dc.creatorRomero-Martínez, Bianca S.es_ES
dc.creatorFlores-Soto, Edgares_ES
dc.date2022
dc.date.accessioned2024-12-11T18:17:03Z
dc.date.available2024-12-11T18:17:03Z
dc.date.issued2022
dc.identifierJC12NC22es_ES
dc.identifier.urihttp://repositorio.inprf.gob.mx/handle/123456789/8153
dc.identifier.urihttps://doi.org/10.3390/ijms23084167
dc.descriptionTheophylline (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.es_ES
dc.formatPDFes_ES
dc.language.isoenges_ES
dc.publisherMDPIes_ES
dc.relation23(8):4167
dc.rightsAcceso Cerradoes_ES
dc.titleTheophylline: old drug in a new light, application in COVID-19 through computational studieses_ES
dc.typeArtículoes_ES
dc.contributor.affiliationDepartamento de Farmacología, Facultad de Medicina, Universidad Nacional Autónoma de México, Ciudad de México 04510, CP, Mexico
dc.contributor.emailedgarfs@comunidad.unam.mx
dc.relation.jnabreviadoINT J MOL SCI
dc.relation.journalInternational Journal of Molecular Sciences
dc.identifier.placeSuiza
dc.date.published2022
dc.identifier.organizacionInstituto Nacional de Psiquiatría Ramón de la Fuente Muñiz
dc.identifier.eissn1422-0067
dc.identifier.doi10.3390/ijms23084167
dc.subject.kwTheophylline
dc.subject.kwCOVID-19
dc.subject.kwSARS-CoV-2
dc.subject.kwImmunomodulatory effects
dc.subject.kwAntiviral activity
dc.subject.kwMolecular docking
dc.subject.kwNetwork pharmacology
dc.subject.kwQuantitative systems pharmacology


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