ArticleInternational journal of molecular sciences2025
Monothiooxalamide-Benzothiazole Hybrids: Predictive Docking on HDAC6, Synthesis, Molecular Structure, and Antiproliferative Activity on Breast Cancer Cells.
Carlos Eduardo Macías-Hernández, Irving Balbuena-Rebolledo, Efrén V García-Báez, Laura C Cabrera-Pérez, Marycarmen Godínez-Victoria, Martha C Rosales-Hernández, Itzia I Padilla-Martínez
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In one paragraphArticle in International journal of molecular sciences, 2025. 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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4 · The recordCorrections and comments
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5 · Who and what moneyAuthors and funding
7 authors.
Carlos Eduardo Macías-HernándezLaboratorio de Química Supramolecular y Nanociencias, Unidad Profesional Interdisciplinaria de Biotecnología, Instituto Politécnico Nacional, Avenida Acueducto s/n, Barrio la Laguna Ticomán, Mexico City 07340, Mexico.ORCID 0000-0001-7199-0097 Irving Balbuena-RebolledoLaboratorio de Química Supramolecular y Nanociencias, Unidad Profesional Interdisciplinaria de Biotecnología, Instituto Politécnico Nacional, Avenida Acueducto s/n, Barrio la Laguna Ticomán, Mexico City 07340, Mexico.
Efrén V García-BáezLaboratorio de Química Supramolecular y Nanociencias, Unidad Profesional Interdisciplinaria de Biotecnología, Instituto Politécnico Nacional, Avenida Acueducto s/n, Barrio la Laguna Ticomán, Mexico City 07340, Mexico.
Laura C Cabrera-PérezLaboratorio de Química Supramolecular y Nanociencias, Unidad Profesional Interdisciplinaria de Biotecnología, Instituto Politécnico Nacional, Avenida Acueducto s/n, Barrio la Laguna Ticomán, Mexico City 07340, Mexico.
Marycarmen Godínez-VictoriaLaboratorio de Citometría de Flujo e Inmunología Clínica, Sección de Estudios de Posgrado e Investigación, Escuela Superior de Medicina, Instituto Politécnico Nacional, Plan de San Luis y Salvador Díaz Mirón s/n Casco de Santo Tomas, Mexico City 11340, Mexico.
Martha C Rosales-HernándezLaboratorio de Biofísica y Biocatálisis, Sección de Estudios de Posgrado e Investigación, Escuela Superior de Medicina, Instituto Politécnico Nacional, Plan de San Luis y Salvador Díaz Mirón s/n, Casco de Santo Tomas, Mexico City 11340, Mexico.ORCID 0000-0003-0012-580X Itzia I Padilla-MartínezLaboratorio de Química Supramolecular y Nanociencias, Unidad Profesional Interdisciplinaria de Biotecnología, Instituto Politécnico Nacional, Avenida Acueducto s/n, Barrio la Laguna Ticomán, Mexico City 07340, Mexico.ORCID 0000-0002-9645-2049 Funding
Instituto Politécnico Nacional 20250238
6 · The paper itselfAbstract
A new family of monothiooxalamide derived from 2-aminobenzothiazole was synthesized with the purpose of investigating its anticancer activity. The design of the compounds was focused on targeting the HDAC6 enzyme, a target for antineoplastic drugs. The in silico affinity of compounds to HDAC6 was performed and confirmed by docking simulation. The structures of monothiooxalamide-benzothiazole hybrids were characterized by 1D and 2D NMR experiments, as well as through mass spectrometry and IR spectroscopy. In addition, the antiproliferative activity of compounds was assessed in human breast cancer cell lines (MCF-7 and MDA-MB231) and non-malignant cells (MCF-10A and NIH/3T3). The most active compound was
Indexed as
Antineoplastic AgentsBenzothiazolesBreast NeoplasmsHistone Deacetylase 6AnimalsApoptosisCell Line, TumorCell ProliferationFemaleHistone Deacetylase InhibitorsHumansMCF-7 CellsMiceMolecular Docking SimulationMolecular StructureAntineoplastic AgentsBenzothiazolesHDAC6 protein, humanHistone Deacetylase 6Histone Deacetylase InhibitorsantiproliferativebenzothiazoleHDAC6monothiooxalamide
Identifiers
PMID40943603
PMCPMC12429841
What Socratic holds
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