{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,24]],"date-time":"2026-10-24T00:38:54Z","timestamp":1792802334892,"version":"4.5.0"},"reference-count":51,"publisher":"Public Library of Science (PLoS)","issue":"10","license":[{"start":{"date-parts":[[2025,10,22]],"date-time":"2025-10-22T00:00:00Z","timestamp":1761091200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100004704","name":"National Research Council of Thailand","doi-asserted-by":"publisher","award":["N42A660969"],"award-info":[{"award-number":["N42A660969"]}],"id":[{"id":"10.13039\/501100004704","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100005076","name":"Agricultural Research Development Agency","doi-asserted-by":"crossref","award":["PRP6605030320"],"award-info":[{"award-number":["PRP6605030320"]}],"id":[{"id":"10.13039\/501100005076","id-type":"DOI","asserted-by":"crossref"}]},{"name":"The Central Instrument Facility (CIF) and Center of Nanoimaging (CNI), Faculty of Science, Mahidol University","award":["PM-SLI-3-65-05"],"award-info":[{"award-number":["PM-SLI-3-65-05"]}],"id":[{"id":"https:\/\/ror.org\/01znkr924","id-type":"ROR","asserted-by":"crossref"}]}],"content-domain":{"domain":["www.plosone.org"],"crossmark-restriction":false},"short-container-title":["PLoS One"],"abstract":"<jats:p>\n                    Type 2 diabetes mellitus (T2DM) is a global health issue associated with oxidative stress, inflammation, and insulin resistance. Even though \u03b1-glucosidase inhibitors such as acarbose are used in treatment, their efficacy is limited by gastrointestinal side effects. In this study, we evaluated the antioxidant properties and \u03b1-glucosidase inhibition of C-12 dithiocarbamate andrographolide analogues compared to the parent compound, andrographolide. Among all analogues, compound\n                    <jats:bold>3f<\/jats:bold>\n                    exhibited strong antioxidant activity, achieving 84% DPPH inhibition and a reducing antioxidant power activity of 254 \u03bcM ascorbic acid equivalent (AAE) at 500 \u03bcM. Additionally, molecular docking suggested a favorable binding to both yeast and human \u03b1-glucosidase at a comparable level as andrographolide, verified by the surface plasmon resonance (SPR) detection system, indicating a strong binding affinity with a dissociation constant (\n                    <jats:italic>\n                      <jats:italic>K<\/jats:italic>\n                    <\/jats:italic>\n                    <jats:sub>D<\/jats:sub>\n                    ) of 12.86 \u03bcM. It also retains favorable physicochemical properties that align with drug-likeness based on Lipinski\u2019s Rule. Functional assay confirmed its inhibitory activity with an IC\n                    <jats:sub>50<\/jats:sub>\n                    of 411 \u03bcM against the yeast \u03b1-glucosidase enzyme model, which was greater than both andrographolide and acarbose. Further molecular dynamics (MD) simulation analysis revealed that compound\n                    <jats:bold>3f<\/jats:bold>\n                    exhibited stable and thermodynamically favorable binding to human \u03b1-glucosidase as well as interacting with key amino acids similar to those of andrographolide, providing a preliminary understanding of its potential relevance in a human enzyme context. Altogether, these findings highlight the significant potential of compound\n                    <jats:bold>3f<\/jats:bold>\n                    as a novel \u03b1-glucosidase inhibitor, offering a potential therapeutic alternative and paving the way for further anti-diabetic drug development.\n                  <\/jats:p>","DOI":"10.1371\/journal.pone.0334026","type":"journal-article","created":{"date-parts":[[2025,10,22]],"date-time":"2025-10-22T17:36:09Z","timestamp":1761154569000},"page":"e0334026","update-policy":"https:\/\/doi.org\/10.1371\/journal.pone.corrections_policy","source":"Crossref","is-referenced-by-count":4,"title":["Discovery of C-12 dithiocarbamate andrographolide analogue as a novel antioxidant and \u03b1-glucosidase inhibitors: In vitro and in silico studies"],"prefix":"10.1371","volume":"20","author":[{"given":"Utid","family":"Suriya","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chanathip","family":"Duangtha","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Thanchanok","family":"Dontricharoen","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Paveena","family":"Yamanont","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4415-3781","authenticated-orcid":true,"given":"Sakonwan","family":"Kuhaudomlarp","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Prawit","family":"Thitiyanuwat","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Bodee","family":"Nutho","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Patcharee","family":"Arsakhant","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rungnapha","family":"Saeeng","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Noppawan Phumala","family":"Morales","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Supachoke","family":"Mangmool","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2305-9107","authenticated-orcid":true,"given":"Sutharinee","family":"Likitnukul","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"340","published-online":{"date-parts":[[2025,10,22]]},"reference":[{"key":"pone.0334026.ref001","volume-title":"Insulin Resistance","author":"AM Freeman","year":"2025"},{"key":"pone.0334026.ref002","doi-asserted-by":"crossref","first-page":"3611","DOI":"10.2147\/DMSO.S275898","article-title":"Obesity, Insulin Resistance, and Type 2 Diabetes: Associations and Therapeutic Implications","volume":"13","author":"YT Wondmkun","year":"2020","journal-title":"Diabetes Metab Syndr Obes"},{"key":"pone.0334026.ref003","doi-asserted-by":"crossref","first-page":"114","DOI":"10.1016\/j.freeradbiomed.2022.03.019","article-title":"Oxidative stress in the pathophysiology of type 2 diabetes and related complications: Current therapeutics strategies and future perspectives","volume":"184","author":"JS Bhatti","year":"2022","journal-title":"Free Radic Biol Med"},{"key":"pone.0334026.ref004","doi-asserted-by":"crossref","first-page":"8416763","DOI":"10.1155\/2017\/8416763","article-title":"Oxidative Stress: Harms and Benefits for Human Health","volume":"2017","author":"G Pizzino","year":"2017","journal-title":"Oxid Med Cell Longev"},{"issue":"1","key":"pone.0334026.ref005","doi-asserted-by":"crossref","first-page":"7","DOI":"10.1016\/j.tem.2020.11.002","article-title":"Nrf2: The Master and Captain of Beta Cell Fate","volume":"32","author":"S Baumel-Alterzon","year":"2021","journal-title":"Trends Endocrinol Metab"},{"key":"pone.0334026.ref006","article-title":"Type 2 Diabetes Mellitus (DM).","volume-title":"Symptom to Diagnosis: An Evidence-Based Guide","author":"D. 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