{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,25]],"date-time":"2026-02-25T15:37:42Z","timestamp":1772033862320,"version":"3.50.1"},"reference-count":59,"publisher":"MDPI AG","issue":"9","license":[{"start":{"date-parts":[[2025,4,23]],"date-time":"2025-04-23T00:00:00Z","timestamp":1745366400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia (FCT) with Portuguese Government funds","award":["UIDB\/00674\/2020"],"award-info":[{"award-number":["UIDB\/00674\/2020"]}]},{"name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia (FCT) with Portuguese Government funds","award":["UIDP\/00674\/2020"],"award-info":[{"award-number":["UIDP\/00674\/2020"]}]},{"name":"ARDITI-Ag\u00eancia Regional para o Desenvolvimento da Investiga\u00e7\u00e3o Tecnologia e Inova\u00e7\u00e3o","award":["UIDB\/00674\/2020"],"award-info":[{"award-number":["UIDB\/00674\/2020"]}]},{"name":"ARDITI-Ag\u00eancia Regional para o Desenvolvimento da Investiga\u00e7\u00e3o Tecnologia e Inova\u00e7\u00e3o","award":["UIDP\/00674\/2020"],"award-info":[{"award-number":["UIDP\/00674\/2020"]}]},{"name":"Regi\u00e3o Aut\u00f3noma da Madeira-Governo Regional","award":["UIDB\/00674\/2020"],"award-info":[{"award-number":["UIDB\/00674\/2020"]}]},{"name":"Regi\u00e3o Aut\u00f3noma da Madeira-Governo Regional","award":["UIDP\/00674\/2020"],"award-info":[{"award-number":["UIDP\/00674\/2020"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Foods"],"abstract":"<jats:p>Culinary herbs and spices are valued worldwide for their flavor, aroma, and medicinal benefits. They encompass diverse bioactive metabolites, such as polyphenols and terpenoids, which contribute to plant defense and offer anticarcinogenic, anti-inflammatory, antioxidant, and cognitive-enhancing effects. 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\u2019s (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, \u03b2-caryophyllene, \u03b3-curcumene, germacrene D, and \u03c4-cadinol exhibited the strongest inhibitory activities against the selected receptors. Among the extracts, Jamaica pepper showed the highest antioxidant and anti-inflammatory activities, while lemon verbena exhibited the lowest ones. These findings highlight the promising potential of the studied culinary herbs and spices in the modulation of inflammatory processes related to Alzheimer\u2019s disease. However, further investigations, particularly clinical studies, are recommended to validate these results and explore their therapeutic applications.<\/jats:p>","DOI":"10.3390\/foods14091456","type":"journal-article","created":{"date-parts":[[2025,4,23]],"date-time":"2025-04-23T06:38:37Z","timestamp":1745390317000},"page":"1456","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Multifaceted Biological Activities of Culinary Herb and Spice Extracts: In Vitro and In Silico Simulation Insights into Inflammation-Related Targets"],"prefix":"10.3390","volume":"14","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-4125-6312","authenticated-orcid":false,"given":"Nance","family":"Hontman","sequence":"first","affiliation":[{"name":"CQM\u2014Centro de Qu\u00edmica da Madeira, Universidade da Madeira, Campus da Penteada, 9020-105 Funchal, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4964-597X","authenticated-orcid":false,"given":"J\u00e9ssica","family":"Gon\u00e7alves","sequence":"additional","affiliation":[{"name":"CQM\u2014Centro de Qu\u00edmica da Madeira, Universidade da Madeira, Campus da Penteada, 9020-105 Funchal, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1965-3151","authenticated-orcid":false,"given":"Jos\u00e9 S.","family":"C\u00e2mara","sequence":"additional","affiliation":[{"name":"CQM\u2014Centro de Qu\u00edmica da Madeira, Universidade da Madeira, Campus da Penteada, 9020-105 Funchal, Portugal"},{"name":"Departamento de Qu\u00edmica, Faculdade de Ci\u00eancias Exatas e Engenharia, Universidade da Madeira, Campus da Penteada, 9020-105 Funchal, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7223-1022","authenticated-orcid":false,"given":"Rosa","family":"Perestrelo","sequence":"additional","affiliation":[{"name":"CQM\u2014Centro de Qu\u00edmica da Madeira, Universidade da Madeira, Campus da Penteada, 9020-105 Funchal, Portugal"}]}],"member":"1968","published-online":{"date-parts":[[2025,4,23]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","unstructured":"Athanasiadis, V., Chatzimitakos, T., Makrygiannis, I., Kalompatsios, D., Bozinou, E., and Lalas, S.I. 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