ArticleMolecules (Basel, Switzerland)2026
Four New Menadione Thioderivatives, Potential Antineoplastic Candidates: In Silico and PARP-1 Inhibition Studies.
Francisco Javier Pérez Flores, Luis Jaime Vázquez-López, Adriana Lizbeth Rivera Espejel, María Inés Nicolás-Vázquez, María Z Saavedra-Leos, Alberto A Fajardo de la Rosa, Samuel Álvarez-Almazán, Joel Martínez, René Miranda Ruvalcaba
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In one paragraphArticle in Molecules (Basel, Switzerland), 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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2 · The registryThe trial behind it
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5 · Who and what moneyAuthors and funding
9 authors.
Francisco Javier Pérez FloresLaboratorio de Espectrometría de Masas, Instituto de Química, Universidad Nacional Autónoma de México, Circuito Exterior s/n, Ciudad Universitaria, Ciudad de México 04510, Mexico.ORCID 0000-0002-6393-6047 Luis Jaime Vázquez-LópezDepartamento de Ciencias Químicas, Facultad de Estudios Superiores Cuautitlán Campo 1, Universidad Nacional Autónoma de México, Avenida 1o de Mayo s/n, Colonia Santa María las Torres, Cuautitlán Izcalli 54740, Mexico.ORCID 0009-0000-5307-1839 Adriana Lizbeth Rivera EspejelDepartamento de Ciencias Químicas, Facultad de Estudios Superiores Cuautitlán Campo 1, Universidad Nacional Autónoma de México, Avenida 1o de Mayo s/n, Colonia Santa María las Torres, Cuautitlán Izcalli 54740, Mexico.
María Inés Nicolás-VázquezDepartamento de Ciencias Químicas, Facultad de Estudios Superiores Cuautitlán Campo 1, Universidad Nacional Autónoma de México, Avenida 1o de Mayo s/n, Colonia Santa María las Torres, Cuautitlán Izcalli 54740, Mexico.ORCID 0000-0003-0722-5045 María Z Saavedra-LeosCoordinación Académica Región Altiplano, Universidad Autónoma de San Luis Potosí, Carretera Cedral km, 5+600 Ejido San José de las Trojes Matehuala, San Luis Potosí 78700, Mexico.ORCID 0000-0001-6721-7114 Alberto A Fajardo de la RosaLaboratorio de Ingeniería Química, Facultad de Química, Universidad Nacional Autónoma de México, Ciudad de México 04510, Mexico.ORCID 0000-0003-4072-4989 Samuel Álvarez-AlmazánLaboratory of Biotechnology, Unidad de Investigación Multidisciplinaria, Facultad de Estudios Superiores Cuautitlán Campus 1, Universidad Nacional Autónoma de México, Cuautitlán Izcalli 54740, Mexico.ORCID 0000-0001-7346-8251 Joel MartínezDepartamento de Ciencias Químicas, Facultad de Estudios Superiores Cuautitlán Campo 1, Universidad Nacional Autónoma de México, Avenida 1o de Mayo s/n, Colonia Santa María las Torres, Cuautitlán Izcalli 54740, Mexico.ORCID 0000-0002-6683-6738 René Miranda RuvalcabaDepartamento de Ciencias Químicas, Facultad de Estudios Superiores Cuautitlán Campo 1, Universidad Nacional Autónoma de México, Avenida 1o de Mayo s/n, Colonia Santa María las Torres, Cuautitlán Izcalli 54740, Mexico.ORCID 0000-0002-1979-5590 Funding
PICI CI2413Universidad Nacional Autónoma de México-FESC, PAPIIT-UNAM IN211023
6 · The paper itselfAbstract
The design, production, and study of new poly[ADP-ribose] polymerase 1 (PARP-1) inhibitors have emerged as an interesting exploration area, since PARP-1 is an overexpressed enzyme in several carcinomas. In this sense, menadione, or vitamin K3, is well known for its use in correct blood clotting, and for the generation of reactive oxygen species, but it is important to mention that it has been used as an antineoplastic agent against several cell lines. Related to the last commentary, in this work, four novel molecules (
Indexed as
Antineoplastic AgentsPoly (ADP-Ribose) Polymerase-1Poly(ADP-ribose) Polymerase InhibitorsVitamin K 3Computer SimulationHumansMolecular Docking SimulationMolecular StructurePhthalazinesPiperazinesStructure-Activity RelationshipAntineoplastic AgentsolaparibPARP1 protein, humanPhthalazinesPiperazinesPoly (ADP-Ribose) Polymerase-1Poly(ADP-ribose) Polymerase InhibitorsVitamin K 3DFTdockingmenadione thioderivativesolaparibPARP-1
Identifiers
PMID41900056
PMCPMC13028785
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