{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,14]],"date-time":"2026-09-14T16:35:54Z","timestamp":1789403754048,"version":"build-2803163510"},"reference-count":53,"publisher":"MDPI AG","issue":"15","license":[{"start":{"date-parts":[[2021,7,28]],"date-time":"2021-07-28T00:00:00Z","timestamp":1627430400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["31870333"],"award-info":[{"award-number":["31870333"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["31800297"],"award-info":[{"award-number":["31800297"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Qinghai Provincial Science Foundation","award":["2020-SF-A2"],"award-info":[{"award-number":["2020-SF-A2"]}]},{"name":"Qinghai Provincial Science Foundation","award":["2019-ZJ-7100"],"award-info":[{"award-number":["2019-ZJ-7100"]}]},{"name":"Chinese Academy of Sciences &quot;Light of West China&quot; Program","award":["2020"],"award-info":[{"award-number":["2020"]}]},{"name":"Innovation Platform for the Development and Construction of Special Project of Qinghai Province","award":["2021-ZJ-T05"],"award-info":[{"award-number":["2021-ZJ-T05"]}]},{"name":"Innovation Platform for the Development and Construction of Special Project of Qinghai Province","award":["2020-0407-NCC-0001"],"award-info":[{"award-number":["2020-0407-NCC-0001"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>\u03b1-glucosidase is a major enzyme that is involved in starch digestion and type 2 diabetes mellitus. In this study, the inhibition of hypericin by \u03b1-glucosidase and its mechanism were firstly investigated using enzyme kinetics analysis, real-time interaction analysis between hypericin and \u03b1-glucosidase by surface plasmon resonance (SPR), and molecular docking simulation. The results showed that hypericin was a high potential reversible and competitive \u03b1-glucosidase inhibitor, with a maximum half inhibitory concentration (IC50) of 4.66 \u00b1 0.27 mg\/L. The binding affinities of hypericin with \u03b1-glucosidase were assessed using an SPR detection system, which indicated that these were strong and fast, with balances dissociation constant (KD) values of 6.56 \u00d7 10\u22125 M and exhibited a slow dissociation reaction. Analysis by molecular docking further revealed that hydrophobic forces are generated by interactions between hypericin and amino acid residues Arg-315 and Tyr-316. In addition, hydrogen bonding occurred between hypericin and \u03b1-glucosidase amino acid residues Lys-156, Ser-157, Gly-160, Ser-240, His-280, Asp-242, and Asp-307. The structure and micro-environment of \u03b1-glucosidase enzymes were altered, which led to a decrease in \u03b1-glucosidase activity. This research identified that hypericin, an anthracene ketone compound, could be a novel \u03b1-glucosidase inhibitor and further applied to the development of potential anti-diabetic drugs.<\/jats:p>","DOI":"10.3390\/molecules26154566","type":"journal-article","created":{"date-parts":[[2021,7,28]],"date-time":"2021-07-28T11:12:52Z","timestamp":1627470772000},"page":"4566","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":53,"title":["Inhibitory Activity and Mechanism Investigation of Hypericin as a Novel \u03b1-Glucosidase Inhibitor"],"prefix":"10.3390","volume":"26","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-6192-1597","authenticated-orcid":false,"given":"Qi","family":"Dong","sequence":"first","affiliation":[{"name":"CAS Key Laboratory of Tibetan Medicine Research, Northwest Institute of Plateau Biology, Xining 810008, China"},{"name":"Qinghai Provincial Key Laboratory of Tibetan Medicine Research, Xining 810008, China"},{"name":"University of Chinese Academy of Sciences, Beijing 100049, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Na","family":"Hu","sequence":"additional","affiliation":[{"name":"CAS Key Laboratory of Tibetan Medicine Research, Northwest Institute of Plateau Biology, Xining 810008, China"},{"name":"Qinghai Provincial Key Laboratory of Tibetan Medicine Research, Xining 810008, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Huilan","family":"Yue","sequence":"additional","affiliation":[{"name":"CAS Key Laboratory of Tibetan Medicine Research, Northwest Institute of Plateau Biology, Xining 810008, China"},{"name":"Qinghai Provincial Key Laboratory of Tibetan Medicine Research, Xining 810008, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Honglun","family":"Wang","sequence":"additional","affiliation":[{"name":"CAS Key Laboratory of Tibetan Medicine Research, Northwest Institute of Plateau Biology, Xining 810008, China"},{"name":"Qinghai Provincial Key Laboratory of Tibetan Medicine Research, Xining 810008, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2021,7,28]]},"reference":[{"key":"ref_1","first-page":"94","article-title":"The analysis of the epidemic status and risk factors of diabetes mellitus","volume":"18","author":"Zhang","year":"2018","journal-title":"World Latest Med. 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