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Purification, Molecular Docking and Cytotoxicity Evaluation of Bioactive Pentacyclic Polyhydroxylated Triterpenoids from Salvia urmiensis.
Farimani, Mahdi Moridi; Abbas-Mohammadi, Mahdi; Ghorbannia-Dellavar, Samira; Nejad-Ebrahimi, Samad; Hamburger, Matthias.
Afiliación
  • Farimani MM; Department of Phytochemistry, Medicinal Plants and Drugs Research Institute, Shahid Beheshti University, Evin, Tehran, Iran.
  • Abbas-Mohammadi M; Department of Organic Chemistry, Faculty of Chemistry, University of Kashan, Kashan, Iran.
  • Ghorbannia-Dellavar S; Department of Phytochemistry, Medicinal Plants and Drugs Research Institute, Shahid Beheshti University, Evin, Tehran, Iran.
  • Nejad-Ebrahimi S; Traditional Medicine and History of Medical Sciences Research Center, Health Research Institute, Babol University of Medical Sciences, Babol, Iran.
  • Hamburger M; Department of Phytochemistry, Medicinal Plants and Drugs Research Institute, Shahid Beheshti University, Evin, Tehran, Iran.
Planta Med ; 90(6): 482-490, 2024 May.
Article en En | MEDLINE | ID: mdl-38219732
ABSTRACT
Triterpenoids, as one of the largest classes of naturally occurring secondary metabolites in higher plants, are of interest due to their high structural diversity and wide range of biological activities. In addition to several promising pharmacological activities such as antimicrobial, antiviral, antioxidant, anti-inflammatory and hepatoprotective effects, a large number of triterpenoids have revealed high potential for cancer therapy through their strong cytotoxicity on cancer cell lines and, also, low toxicity in normal cells. So, this study was aimed at discovering novel and potentially bioactive triterpenoids from the Salvia urmiensis species. For this, an ethyl acetate fraction of the acetone extract of the aerial parts of the plant was chromatographed to yield five novel polyhydroxylated triterpenoids (1 -5 ). Their structure was elucidated by extensive spectroscopic methods including 1D (1H, 13C, DEPT-Q) and 2D NMR (COSY, HSQC, HMBC, NOESY) experiments, as well as HRESIMS analysis. Cytotoxic activity of the purified compounds was also investigated by MTT assay against the MCF-7 cancer cell line. Furthermore, a molecular docking analysis was applied to evaluate the inhibition potential of the ligands against the nuclear factor kappa B (NF-κB) protein, which promotes tumor metastasis or affects gene expression in cancer disease. The 1ß,11ß,22α-trihydroxy-olean-12-ene-3-one (compound 4 ) indicated the best activity in both in vitro and in silico assays, with an IC50 value of 32 µM and a docking score value of - 3.976 kcal/mol, respectively.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Triterpenos / Salvia / Simulación del Acoplamiento Molecular / Antineoplásicos Fitogénicos Límite: Humans Idioma: En Revista: Planta Med Año: 2024 Tipo del documento: Article País de afiliación: Irán Pais de publicación: Alemania
Texto completo
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XML
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Triterpenos / Salvia / Simulación del Acoplamiento Molecular / Antineoplásicos Fitogénicos Límite: Humans Idioma: En Revista: Planta Med Año: 2024 Tipo del documento: Article País de afiliación: Irán Pais de publicación: Alemania