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  • Multifaceted biological activities of culinary herbs and spices extracts on alzheimer´s disease prevention, focusing on in vitro and in silico molecular docking simulations
    Publication . Gonçalves, Nance Carina Hontman; Gouveia, Rosa Maria de Sá Perestrelo; Câmara, José de Sousa
    Culinary herbs and spices are commonly used worldwide, valued not only for flavor and odor but also for their medicinal and therapeutic benefits. These ingredients are composed of a broad spectrum of secondary bioactive metabolites, including polyphenols, terpenoids, and phytosterols, among others, which are involved in plant defenses against biotic or abiotic stresses, and also exhibit health-protecting or disease preventing effects associated to anticarcinogenic, anti-inflammatory, antioxidant, and cognitive-enhancing properties. This study aimed to establish the volatile fingerprint of culinary herbs (lemon verbena, chives, basil, sage, coriander, and parsley) and spices (curcuma, nutmeg, cumin, black pepper, Jamaica pepper, and juniper berry) using headspace solid-phase microextraction combined with gas chromatography-mass spectrometry (HS-SPME/GC-MS). The predominant volatile organic metabolites (VOMs) identified were subjected to in silico molecular docking simulations of anti Alzheimer (e.g., acetylcholinesterase (AChE), butyrylcholinesterase (BChE)), antioxidants (e.g., monoamine oxidase B (MAO-B), inducible nitric oxide synthase (iNOS)), and anti-inflammatory receptors (e.g., 5-lipoxygenase (5-LOX), cyclooxygenase-2 (COX-2)). The culinary herb and spice extracts were also subjected to in vitro assays to evaluate their potential as antioxidant (DPPH, ABTS, and ORAC) and anti-inflammatory (% protein denaturation) agents. A total of 121 VOMs were identified in the culinary herbs and spices, with the predominant chemical families being monoterpenoids (48.3%), sesquiterpenoids (14.0%), esters (11.9%), and carbonyl compounds (8.8%). In silico molecular docking simulations revealed that cuminaldehyde, β-caryophyllene, γ-curcumene, germacrene D, and τ-cadinol exhibited the strongest inhibitory activities against the selected receptors (AChE, BChE, MAO-B, 5-LOX, and COX-2). Among the extracts, Jamaica pepper showed the highest antioxidant and anti inflammatory activities, while lemon verbena exhibited the lowest antioxidant and anti inflammatory activities
    2024-12-23Master thesis Embargoed access Show more