Artificial Intelligence-Based In Silico Evaluation of the Pharmacological Potential and In Vitro Anti-Malignancy Effect in the Human Glioblastoma Cell Line of the Hydrate of the Coumarin Compound Meranzin Originating From the Edible Macroalga (<i>Bangia fuscopurpurea</i>).

ABSTRACT: In 2023, a previous study identified a coumarin compound meranzin in the ethanol extract of the edible red macroalga Bangia fuscopurpurea, but only a few studies have investigated the novel bioactivities of this compound and its hydrate. In this study, we examined the potential effects of meranzin and its hydrate on glioblastoma (GBM) using artificial intelligence-based in silico tools and in vitro models. We used DIGEP-Pred 2.0 to perform enrichment analysis of proteins affected by the two test compounds in GBM. ADMETlab 3.0 was applied to evaluate their medicinal chemistry properties and to predict absorption, distribution, metabolism, excretion, and toxicity (ADMET) profiles. We then selected the compound with higher pharmacological potential for in vitro studies in the human GBM

SUBMITTER: Huang SY 

PROVIDER: S-EPMC12745912 | biostudies-literature | 2026 Jan

REPOSITORIES: biostudies-literature