{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,26]],"date-time":"2026-09-26T11:40:00Z","timestamp":1790422800326,"version":"4.1.0"},"reference-count":73,"publisher":"MDPI AG","issue":"6","license":[{"start":{"date-parts":[[2023,3,11]],"date-time":"2023-03-11T00:00:00Z","timestamp":1678492800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100002383","name":"King Saud University, Riyadh, Saudi Arabia","doi-asserted-by":"publisher","award":["RSP2023R208"],"award-info":[{"award-number":["RSP2023R208"]}],"id":[{"id":"10.13039\/501100002383","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>Alzheimer\u2019s disease poses a global health concern with unmet demand requiring creative approaches to discover new medications. In this study, we investigated the chemical composition and the anticholinesterase activity of Aspergillus niveus Fv-er401 isolated from Foeniculum vulgare (Apiaceae) roots. Fifty-eight metabolites were identified using UHPLC-MS\/MS analysis of the crude extract. The fungal extract showed acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) inhibitory effects with IC50 53.44 \u00b1 1.57 and 48.46 \u00b1 0.41 \u00b5g\/mL, respectively. Two known metabolites were isolated, terrequinone A and citrinin, showing moderate AChE and BuChE inhibitory activity using the Ellman\u2019s method (IC50 = 11.10 \u00b1 0.38 \u00b5g\/mL and 5.06 \u00b1 0.15 \u00b5g\/mL, respectively for AChE, and IC50 15.63 \u00b1 1.27 \u00b5g\/mL and 8.02 \u00b1 0.08 \u00b5g\/mL, respectively for BuChE). As evidenced by molecular docking, the isolated compounds and other structurally related metabolites identified by molecular networking had the required structural features for AChE and BuChE inhibition. Where varioxiranol G (\u22129.76 and \u221210.36 kcal\/mol), penicitrinol B (\u22129.50 and \u22128.02 kcal\/mol), dicitrinol A (\u22128.53 and \u22127.98 kcal\/mol) and asterriquinone CT5 (\u22128.02 and \u22128.25 kcal\/mol) showed better binding scores as AChE and BuChE inhibitors than the co-crystallized inhibitor (between \u22127.89 and 7.82 kcal\/mol) making them promising candidates for the development of new drugs to treat Alzheimer\u2019s.<\/jats:p>","DOI":"10.3390\/molecules28062559","type":"journal-article","created":{"date-parts":[[2023,3,13]],"date-time":"2023-03-13T03:28:33Z","timestamp":1678678113000},"page":"2559","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":26,"title":["Cholinesterase Inhibitors from an Endophytic Fungus Aspergillus niveus Fv-er401: Metabolomics, Isolation and Molecular Docking"],"prefix":"10.3390","volume":"28","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-5817-683X","authenticated-orcid":false,"given":"Ahmed A.","family":"Hamed","sequence":"first","affiliation":[{"name":"Pharmacognosy Department, Faculty of Pharmacy, Cairo University, Kasr el Aini St., Cairo 11562, Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3179-3352","authenticated-orcid":false,"given":"Riham A.","family":"El-Shiekh","sequence":"additional","affiliation":[{"name":"Pharmacognosy Department, Faculty of Pharmacy, Cairo University, Kasr el Aini St., Cairo 11562, Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3216-6948","authenticated-orcid":false,"given":"Osama G.","family":"Mohamed","sequence":"additional","affiliation":[{"name":"Pharmacognosy Department, Faculty of Pharmacy, Cairo University, Kasr el Aini St., Cairo 11562, Egypt"},{"name":"Natural Products Discovery Core, Life Sciences Institute, University of Michigan, Ann Arbor, MI 48109, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Elsayed A.","family":"Aboutabl","sequence":"additional","affiliation":[{"name":"Pharmacognosy Department, Faculty of Pharmacy, Cairo University, Kasr el Aini St., Cairo 11562, Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fify I.","family":"Fathy","sequence":"additional","affiliation":[{"name":"Pharmacognosy Department, Faculty of Pharmacy, Cairo University, Kasr el Aini St., Cairo 11562, Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3293-2836","authenticated-orcid":false,"given":"Ghada A.","family":"Fawzy","sequence":"additional","affiliation":[{"name":"Pharmacognosy Department, Faculty of Pharmacy, Cairo University, Kasr el Aini St., Cairo 11562, Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Areej M.","family":"Al-Taweel","sequence":"additional","affiliation":[{"name":"Department of Pharmacognosy, College of Pharmacy, King Saud University, Riyadh 11495, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1272-6453","authenticated-orcid":false,"given":"Tarek R.","family":"Elsayed","sequence":"additional","affiliation":[{"name":"Agricultural Microbiology Department, Faculty of Agriculture, Cairo University, Giza 12613, Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2297-8088","authenticated-orcid":false,"given":"Ashootosh","family":"Tripathi","sequence":"additional","affiliation":[{"name":"Natural Products Discovery Core, Life Sciences Institute, University of Michigan, Ann Arbor, MI 48109, USA"},{"name":"Department of Medicinal Chemistry, College of Pharmacy, University of Michigan, Ann Arbor, MI 48109, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8173-6073","authenticated-orcid":false,"given":"Ahmed A.","family":"Al-Karmalawy","sequence":"additional","affiliation":[{"name":"Pharmaceutical Chemistry Department, Faculty of Pharmacy, Ahram Canadian University, 6th of October City 12566, Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2023,3,11]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"1002","DOI":"10.33582\/2637-4927\/1002","article-title":"Alzheimer\u2019s disease: Causes & treatment\u2013A review","volume":"1","author":"Bhushan","year":"2018","journal-title":"Ann. 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