{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,1]],"date-time":"2026-09-01T03:49:23Z","timestamp":1788234563069,"version":"build-2803163510"},"reference-count":37,"publisher":"MDPI AG","issue":"9","license":[{"start":{"date-parts":[[2022,5,5]],"date-time":"2022-05-05T00:00:00Z","timestamp":1651708800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"National College Students Innovation and Entrepreneurship Training Program of China","award":["202010019030"],"award-info":[{"award-number":["202010019030"]}]},{"name":"National College Students Innovation and Entrepreneurship Training Program of China","award":["31972068"],"award-info":[{"award-number":["31972068"]}]},{"name":"2115 Talent Development Program of China Agricultural University","award":["202010019030"],"award-info":[{"award-number":["202010019030"]}]},{"name":"2115 Talent Development Program of China Agricultural University","award":["31972068"],"award-info":[{"award-number":["31972068"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Nutrients"],"abstract":"<jats:p>Phenolic acids are widely found in fruits and vegetables. The inhibitory effect of phenolic acids on \u03b1-amylase, a key enzyme for starch digestion, has attracted the attention of researchers. To further investigate the effects of different substituents on the benzene ring of phenolic acid on the inhibition of \u03b1-amylase activity, in vitro experiments and molecular docking were used. The structure-activity relationships of 17 phenolic acids with benzoic acid as the parent nucleus were analyzed by determining their half inhibitory concentration (IC50) toward \u03b1-amylase. The results showed that 2,3,4-trihydroxybenzoic acid had the strongest inhibitory effect on \u03b1-amylase with an IC50 value of 17.30 \u00b1 0.73 mM. According to the structure-activity analysis, the hydroxyl group at the 2-position on the benzene ring had a strong positive effect on the inhibitory activity of \u03b1-amylase, while methoxylation at the 2-position and hydroxylation at the 5-position had a negative effect. Molecular docking revealed that hydrogen bonding and hydrophobic interactions were involved in the inhibition, with hydrogen bonding being the primary force. These findings provide a more comprehensive understanding of phenolic acids as inhibitors of \u03b1-amylase and provide new ideas for the design of dietary formulations for diabetic patients.<\/jats:p>","DOI":"10.3390\/nu14091931","type":"journal-article","created":{"date-parts":[[2022,5,6]],"date-time":"2022-05-06T02:46:39Z","timestamp":1651805199000},"page":"1931","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":46,"title":["A Structure\u2014Activity Relationship Study of the Inhibition of \u03b1-Amylase by Benzoic Acid and Its Derivatives"],"prefix":"10.3390","volume":"14","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-4641-751X","authenticated-orcid":false,"given":"Lei","family":"Guan","sequence":"first","affiliation":[{"name":"Beijing Laboratory of Food Quality and Safety, College of Food Science and Nutritional Engineering, China Agricultural University, Beijing 100083, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Haoyuan","family":"Long","sequence":"additional","affiliation":[{"name":"Beijing Laboratory of Food Quality and Safety, College of Food Science and Nutritional Engineering, China Agricultural University, Beijing 100083, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fazheng","family":"Ren","sequence":"additional","affiliation":[{"name":"Department of Nutrition and Health, China Agricultural University, Beijing 100094, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yixuan","family":"Li","sequence":"additional","affiliation":[{"name":"Department of Nutrition and Health, China Agricultural University, Beijing 100094, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7758-5161","authenticated-orcid":false,"given":"Hao","family":"Zhang","sequence":"additional","affiliation":[{"name":"Beijing Laboratory of Food Quality and Safety, College of Food Science and Nutritional Engineering, China Agricultural University, Beijing 100083, China"},{"name":"Department of Nutrition and Health, China Agricultural University, Beijing 100094, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2022,5,5]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"539","DOI":"10.1111\/cbdd.13909","article-title":"Alpha-amylase as Molecular Target for Treatment of Diabetes Mellitus: A Comprehensive Review","volume":"98","author":"Kaur","year":"2021","journal-title":"Chem. 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