{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,12]],"date-time":"2026-02-12T15:51:24Z","timestamp":1770911484800,"version":"3.50.1"},"reference-count":64,"publisher":"MDPI AG","issue":"19","license":[{"start":{"date-parts":[[2024,10,6]],"date-time":"2024-10-06T00:00:00Z","timestamp":1728172800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"National Institute of Biological Resources (NIBR) funded by the Ministry of Environment (MOE) of the Republic of Korea","award":["NIBR202402105"],"award-info":[{"award-number":["NIBR202402105"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["IJMS"],"abstract":"<jats:p>The formation of atroposelective biaryl compounds in plants and fungi is well understood; however, polyketide aglycone synthesis and dimerization in bacteria remain unclear. Thus, the biosynthetic gene cluster (BGC) responsible for antibacterial setomimycin production from Streptomyces nojiriensis JCM3382 was examined in comparison with the BGCs of spectomycin, julichromes, lincolnenins, and huanglongmycin. The setomimycin BGC includes post-polyketide synthase (PKS) assembly\/cycling enzymes StmD (C-9 ketoreductase), StmE (aromatase), and StmF (thioesterase) as key components. The heterodimeric TcmI-like cyclases StmH and StmK are proposed to aid in forming the setomimycin monomer. In addition, StmI (P-450) is predicted to catalyze the biaryl coupling of two monomeric setomimycin units, with StmM (ferredoxin) specific to the setomimycin BGC. The roles of StmL and StmN, part of the nuclear transport factor 2 (NTF-2)-like protein family and unique to setomimycin BGCs, could particularly interest biochemists and combinatorial biologists. \u03b1-Glucosidase, a key enzyme in type 2 diabetes, hydrolyzes carbohydrates into glucose, thereby elevating blood glucose levels. This study aimed to assess the \u03b1-glucosidase inhibitory activity of EtOAc extracts of JCM 3382 and setomimycin. The JCM 3382 EtOAc extract and setomimycin exhibited greater potency than the standard inhibitor, acarbose, with IC50 values of 285.14 \u00b1 2.04 \u03bcg\/mL and 231.26 \u00b1 0.41 \u03bcM, respectively. Molecular docking demonstrated two hydrogen bonds with maltase-glucoamylase chain A residues Thr205 and Lys480 (binding energy = \u22126.8 kcal\u00b7mol\u22121), two \u03c0\u2013\u03c0 interactions with Trp406 and Phe450, and one \u03c0\u2013cation interaction with Asp542. Residue-energy analysis highlighted Trp406 and Phe450 as key in setomimycin\u2019s binding to maltase-glucoamylase. These findings suggest that setomimycin is a promising candidate for further enzymological research and potential antidiabetic therapy.<\/jats:p>","DOI":"10.3390\/ijms251910758","type":"journal-article","created":{"date-parts":[[2024,10,7]],"date-time":"2024-10-07T06:23:18Z","timestamp":1728282198000},"page":"10758","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Analysis of the Setomimycin Biosynthetic Gene Cluster from Streptomyces nojiriensis JCM3382 and Evaluation of Its \u03b1-Glucosidase Inhibitory Activity Using Molecular Docking and Molecular Dynamics Simulations"],"prefix":"10.3390","volume":"25","author":[{"given":"Kyung-A","family":"Hyun","sequence":"first","affiliation":[{"name":"Department of Biotechnology, College of Applied Life Science, Jeju National University, Jeju 63243, Republic of Korea"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Xuhui","family":"Liang","sequence":"additional","affiliation":[{"name":"Jeju Inside Agency and Cosmetic Science Center, Department of Beauty and Cosmetology, Jeju National University, Jeju 63243, Republic of Korea"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Yang","family":"Xu","sequence":"additional","affiliation":[{"name":"Jeju Inside Agency and Cosmetic Science Center, Department of Beauty and Cosmetology, Jeju National University, Jeju 63243, Republic of Korea"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Seung-Young","family":"Kim","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Engineering and Biotechnology, Sunmoon University, Asan 31460, Republic of Korea"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9024-2999","authenticated-orcid":false,"given":"Kyung-Hwan","family":"Boo","sequence":"additional","affiliation":[{"name":"Department of Biotechnology, College of Applied Life Science, Jeju National University, Jeju 63243, Republic of Korea"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7349-9808","authenticated-orcid":false,"given":"Jin-Soo","family":"Park","sequence":"additional","affiliation":[{"name":"Natural Product Informatics Research Center, KIST Gangneung Institute of Natural Products, Gangneung 25451, Republic of Korea"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0009-0003-0390-2528","authenticated-orcid":false,"given":"Won-Jae","family":"Chi","sequence":"additional","affiliation":[{"name":"Genetic Resources Assessment Division, National Institute of Biological Resources, Incheon 22689, Republic of Korea"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3000-7989","authenticated-orcid":false,"given":"Chang-Gu","family":"Hyun","sequence":"additional","affiliation":[{"name":"Jeju Inside Agency and Cosmetic Science Center, Department of Beauty and Cosmetology, Jeju National University, Jeju 63243, Republic of Korea"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2024,10,6]]},"reference":[{"key":"ref_1","first-page":"mgen000965","article-title":"An updated catalogue of diverse type II polyketide synthase biosynthetic gene clusters captured from large-scale nucleotide databases","volume":"9","author":"McBride","year":"2023","journal-title":"Microb. 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