{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,26]],"date-time":"2026-08-26T12:23:12Z","timestamp":1787746992824,"version":"build-2784847793"},"reference-count":21,"publisher":"Ovid Technologies (Wolters Kluwer Health)","issue":"3","license":[{"start":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T00:00:00Z","timestamp":1782864000000},"content-version":"unspecified","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by-nc-nd\/4.0"}],"content-domain":{"domain":["lww.com","ovid.com"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2026,7]]},"abstract":"<jats:title>\n                    A\n                    <jats:sc>BSTRACT<\/jats:sc>\n                  <\/jats:title>\n                  <jats:p>\n                    Dipeptidyl peptidase-IV (DPP-IV) inhibition is a validated therapeutic mechanism for type 2 diabetes mellitus. Marine-derived bioactive peptides offer a diverse array of potential inhibitors but often exhibit pharmacokinetic limitations that impede clinical translation. This study aimed to identify and evaluate candidate peptides from\n                    <jats:italic toggle=\"yes\">Arbacia lixula<\/jats:italic>\n                    as potential DPP-IV inhibitors using an integrated\n                    <jats:italic toggle=\"yes\">in silico<\/jats:italic>\n                    approach. A total of twenty peptides were evaluated\n                    <jats:italic toggle=\"yes\">in silico<\/jats:italic>\n                    for absorption, distribution, metabolism, excretion, and toxicity (ADMET) profiles using SwissADME, pkCSM, and ProTox. Molecular docking against DPP-IV was performed in MOE v2022.02 with linagliptin as the reference ligand; docking poses were evaluated by predicted binding energy and root mean square deviation (RMSD). Top-ranked peptide\u2013DPP-IV complexes were subjected to 50 ns molecular dynamics (MD) simulations in YASARA Dynamics v4.3.13 to assess conformational stability. ADMET predictions showed low gastrointestinal absorption in most peptides, whereas Peptides 17, 18, and 20 showed high predicted absorption. No target-organ or endpoint-specific toxicity was predicted. Peptides 7, 15, and 18 were prioritized based on favorable docking scores, RMSD &lt;2.0 \u00c5, and relevant DPP-IV residue interactions. Docking scores were interpreted cautiously, not as direct quantitative comparisons with linagliptin. During 50 ns MD simulations, RMSD, root mean square fluctuation, radius of gyration, and solvent-accessible surface area profiles supported the stability, compactness, and dynamic consistency of selected peptide\u2013DPP-IV complexes. Peptides 7, 15, and 18 showed favorable\n                    <jats:italic toggle=\"yes\">in silico<\/jats:italic>\n                    predicting binding, relevant DPP-IV interactions, and acceptable preliminary safety profiles as potential DPP-IV inhibitory candidates. These findings should be interpreted as computational leads that require further\n                    <jats:italic toggle=\"yes\">in vitro<\/jats:italic>\n                    and\n                    <jats:italic toggle=\"yes\">in vivo<\/jats:italic>\n                    validation.\n                  <\/jats:p>","DOI":"10.4103\/japtr.japtr_41_26","type":"journal-article","created":{"date-parts":[[2026,8,12]],"date-time":"2026-08-12T15:00:24Z","timestamp":1786546824000},"page":"213-220","update-policy":"https:\/\/doi.org\/10.1097\/lww.0000000000001000","source":"Crossref","is-referenced-by-count":0,"title":["Discovery of bioactive peptides from Arbacia lixula as dipeptidyl peptidase-IV inhibitors: An in silico approach"],"prefix":"10.4103","volume":"17","author":[{"given":"Zuhrah","family":"Taufiqa","sequence":"first","affiliation":[{"name":"Department of Medicine, Faculty of Medicine, Universitas Negeri Padang, Bukittinggi, West Sumatra, Indonesia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Benny Alexander","family":"Maisa","sequence":"additional","affiliation":[{"name":"Department of Medicine, Faculty of Medicine, Universitas Negeri Padang, Bukittinggi, West Sumatra, Indonesia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kevin Nathaniel","family":"Cuandra","sequence":"additional","affiliation":[{"name":"Department of Medicine, Faculty of Medicine, Universitas Andalas, Padang, West Sumatra, Indonesia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Enrico Franditho","family":"Sihombing","sequence":"additional","affiliation":[{"name":"Undergraduate Program in Medicine, Faculty of Medicine, Universitas Sumatera Utara, Medan, North Sumatra, Indonesia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Muhammad Fathu","family":"Ridho","sequence":"additional","affiliation":[{"name":"Department of Nutrition, Faculty of Public Health, Universitas Andalas, Padang, West Sumatra, Indonesia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sheryl Pricilla Daniela Elizabeth","family":"Silalahi","sequence":"additional","affiliation":[{"name":"Department of Medicine, Faculty of Medicine, Universitas Cenderawasih, Jayapura, Papua, Indonesia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Vina Sari Nugrahaning","family":"Widi","sequence":"additional","affiliation":[{"name":"Department of Medicine, Faculty of Medicine, Universitas Sebelas Maret, Surakarta, Central Java, Indonesia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Afifah Rahma","family":"Adila","sequence":"additional","affiliation":[{"name":"Department of Biology, Faculty of Science and Data Analytics, Institut Teknologi Sepuluh Nopember, Surabaya, East Java, Indonesia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Aurellia Zahra","family":"Quinneala","sequence":"additional","affiliation":[{"name":"Department of Medicine, Faculty of Medicine, Universitas Pembangunan Nasional Veteran Jakarta, Jakarta, Indonesia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Aryas Hakim","family":"Indrajaya","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Faculty of Science and Technology, UIN Sunan Kalijaga, Sleman, Yogyakarta Special Region, Indonesia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Reka","family":"Febriani","sequence":"additional","affiliation":[{"name":"Department of Medicine, Faculty of Medicine, Universitas Pattimura, Ambon, Maluku, Indonesia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zahra Roidah Amalia","family":"Hasna","sequence":"additional","affiliation":[{"name":"Department of Medicine, Faculty of Medicine, Universitas Sebelas Maret, Surakarta, Central Java, Indonesia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sari","family":"Rahmadani","sequence":"additional","affiliation":[{"name":"Department of Pharmacy, Faculty of Pharmacy, Universitas Andalas, Padang, West Sumatra, Indonesia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Erra","family":"Kurniasari","sequence":"additional","affiliation":[{"name":"Department of Medicine, Faculty of Medicine, Universitas Brawijaya, Malang, East Java, Indonesia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mazaya Mansu","family":"Lubis","sequence":"additional","affiliation":[{"name":"Department of Medicine, Faculty of Medicine, Universitas Brawijaya, Malang, East Java, Indonesia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Amira Puji","family":"Hastuti","sequence":"additional","affiliation":[{"name":"Department of Nutrition, Faculty of Public Health, Universitas Indonesia, Depok, West Java, Indonesia"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"276","published-online":{"date-parts":[[2026,8,12]]},"reference":[{"key":"R1-20260826","doi-asserted-by":"crossref","first-page":"6275","DOI":"10.3390\/ijms21176275","article-title":"Pathophysiology of type 2 diabetes mellitus","volume":"21","author":"Galicia-Garcia","year":"2020","journal-title":"Int J Mol Sci"},{"key":"R2-20260826","doi-asserted-by":"crossref","first-page":"4","DOI":"10.1177\/1559827615619159","article-title":"Lifestyle and the prevention of type 2 diabetes: A status report","volume":"12","author":"Galaviz","year":"2015","journal-title":"Am J Lifestyle Med"},{"key":"R3-20260826","doi-asserted-by":"crossref","first-page":"1457","DOI":"10.3390\/healthcare12141457","article-title":"The interrelationship between diabetes mellitus and emotional well-being: Current concepts and future prospects","volume":"12","author":"Mangoulia","year":"2024","journal-title":"Healthcare (Basel)"},{"key":"R4-20260826","first-page":"102037","article-title":"Type 2 diabetes mellitus \u2013 Conventional therapies and future perspectives in innovative treatment","volume":"42","author":"Gieroba","year":"2025","journal-title":"Biochem Biophys Rep"},{"key":"R5-20260826","doi-asserted-by":"crossref","first-page":"100204","DOI":"10.1016\/j.lddd.2025.100204","article-title":"Regulation of hyperglycemia in type 2 diabetes mellitus: Insights into current therapeutic pathways","volume":"22","author":"Rahu","year":"2025","journal-title":"Lett Drug Des Discov"},{"key":"R6-20260826","doi-asserted-by":"crossref","first-page":"269","DOI":"10.3390\/medsci13040269","article-title":"Incretin-based therapies through the decades: Molecular innovations and clinical impact","volume":"13","author":"Lee","year":"2025","journal-title":"Med Sci (Basel)"},{"key":"R7-20260826","doi-asserted-by":"crossref","first-page":"425","DOI":"10.1016\/j.tips.2023.04.003","article-title":"Recent advances in the development of therapeutic peptides","volume":"44","author":"Fetse","year":"2023","journal-title":"Trends Pharmacol Sci"},{"key":"R8-20260826","doi-asserted-by":"crossref","first-page":"291","DOI":"10.3390\/ph18030291","article-title":"2024 FDA TIDES (peptides and oligonucleotides) Harvest","volume":"18","author":"Al","year":"2025","journal-title":"Pharmaceuticals (Basel)"},{"key":"R9-20260826","doi-asserted-by":"crossref","first-page":"102979","DOI":"10.1016\/j.arr.2025.102979","article-title":"Sea urchin bioactive compounds: Emerging interventions for age-related diseases","volume":"114","author":"Escobar-Doncel","year":"2026","journal-title":"Ageing Res Rev"},{"key":"R10-20260826","doi-asserted-by":"crossref","first-page":"17","DOI":"10.1186\/s40409-016-0071-x","article-title":"Initial peptidomic profiling of Brazilian sea urchins: Arbacia lixula, Lytechinus variegatus and Echinometra lucunter","volume":"22","author":"Sciani","year":"2016","journal-title":"J Venom Anim Toxins Incl Trop Dis"},{"key":"R11-20260826","doi-asserted-by":"crossref","first-page":"e1152","DOI":"10.52225\/narra.v5i2.1152","article-title":"Peptide-based drug as atherosclerosis multitarget therapy from Lytechinus variegatus spine: An in silico study","volume":"5","author":"Arisanty","year":"2025","journal-title":"Narra J"},{"key":"R12-20260826","doi-asserted-by":"crossref","first-page":"e1283","DOI":"10.52225\/narra.v4i3.1283","article-title":"In silico analysis of Arbacia lixula-derived peptides and plasmid construction for recombinant anti-aging therapies","volume":"4","author":"Yenny","year":"2024","journal-title":"Narra J"},{"key":"R13-20260826","doi-asserted-by":"crossref","first-page":"42717","DOI":"10.1038\/srep42717","article-title":"SwissADME: A free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules","volume":"7","author":"Daina","year":"2017","journal-title":"Sci Rep"},{"key":"R14-20260826","doi-asserted-by":"crossref","first-page":"W513","DOI":"10.1093\/nar\/gkae303","article-title":"ProTox 3.0: A webserver for the prediction of toxicity of chemicals","volume":"52","author":"Banerjee","year":"2024","journal-title":"Nucleic Acids Res"},{"key":"R15-20260826","doi-asserted-by":"crossref","first-page":"463","DOI":"10.3390\/ijms20030463","article-title":"Discovery of food-derived dipeptidyl peptidase IV inhibitory peptides: A review","volume":"20","author":"Liu","year":"2019","journal-title":"Int J Mol Sci"},{"key":"R16-20260826","doi-asserted-by":"crossref","first-page":"75","DOI":"10.1016\/j.ijpharm.2013.02.030","article-title":"Approaches for enhancing oral bioavailability of peptides and proteins","volume":"447","author":"Renukuntla","year":"2013","journal-title":"Int J Pharm"},{"key":"R17-20260826","doi-asserted-by":"crossref","first-page":"1194","DOI":"10.3390\/foods13081194","article-title":"Mechanistic study of novel dipeptidyl peptidase IV inhibitory peptides from Goat's milk based on peptidomics and in silico analysis","volume":"13","author":"Wu","year":"2024","journal-title":"Foods"},{"key":"R18-20260826","doi-asserted-by":"crossref","first-page":"777","DOI":"10.3390\/md20120777","article-title":"A molecular modeling investigation of the therapeutic potential of marine compounds as DPP-4 inhibitors","volume":"20","author":"Antony","year":"2022","journal-title":"Mar Drugs"},{"key":"R19-20260826","doi-asserted-by":"crossref","first-page":"462","DOI":"10.3390\/ijms26020462","article-title":"Evaluation of structure prediction and molecular docking tools for therapeutic peptides in clinical use and trials targeting coronary artery disease","volume":"26","author":"Alotaiq","year":"2025","journal-title":"Int J Mol Sci"},{"key":"R20-20260826","doi-asserted-by":"crossref","first-page":"1696204","DOI":"10.3389\/fphar.2025.1696204","article-title":"Molecular docking and dynamics in protein serine\/threonine kinase drug discovery: Advances, challenges, and future perspectives","volume":"16","author":"Hasan","year":"2025","journal-title":"Front Pharmacol"},{"key":"R21-20260826","doi-asserted-by":"crossref","first-page":"bbaf533","DOI":"10.1093\/bib\/bbaf533","article-title":"Computational toxicology in drug discovery: Applications of artificial intelligence in ADMET and toxicity prediction","volume":"26","author":"Zhang","year":"2025","journal-title":"Brief Bioinform"}],"container-title":["Journal of Advanced Pharmaceutical Technology &amp; Research"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.ovid.com\/10.4103\/JAPTR.JAPTR_41_26","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,8,26]],"date-time":"2026-08-26T12:00:57Z","timestamp":1787745657000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.ovid.com\/10.4103\/JAPTR.JAPTR_41_26"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,7]]},"references-count":21,"journal-issue":{"issue":"3","published-print":{"date-parts":[[2026]]}},"URL":"https:\/\/doi.org\/10.4103\/japtr.japtr_41_26","relation":{},"ISSN":["2231-4040","0976-2094"],"issn-type":[{"value":"2231-4040","type":"print"},{"value":"0976-2094","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,7]]},"assertion":[{"value":"2026-02-15","name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2026-06-03","name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}}]}}