{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,18]],"date-time":"2026-06-18T20:55:23Z","timestamp":1781816123570,"version":"3.54.5"},"reference-count":71,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T00:00:00Z","timestamp":1790812800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T00:00:00Z","timestamp":1790812800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T00:00:00Z","timestamp":1790812800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T00:00:00Z","timestamp":1790812800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T00:00:00Z","timestamp":1790812800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T00:00:00Z","timestamp":1790812800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T00:00:00Z","timestamp":1790812800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"funder":[{"DOI":"10.13039\/501100006374","name":"Universitas Brawijaya","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100006374","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Computational Biology and Chemistry"],"published-print":{"date-parts":[[2026,10]]},"DOI":"10.1016\/j.compbiolchem.2026.109131","type":"journal-article","created":{"date-parts":[[2026,5,23]],"date-time":"2026-05-23T15:16:26Z","timestamp":1779549386000},"page":"109131","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":0,"special_numbering":"P1","title":["Integrated metabolomics and computational pharmacology to reveal the complementary antidiabetic mechanisms of Tithonia\u2013Curcuma\u2013Moringa (TCM) polyherbal"],"prefix":"10.1016","volume":"124","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-1167-3177","authenticated-orcid":false,"given":"Muhammad Hermawan","family":"Widyananda","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5731-2951","authenticated-orcid":false,"given":"Moh","family":"Dliyauddin","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Noviana Dwi","family":"Lestari","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0002-9923-962X","authenticated-orcid":false,"given":"Rif\u2019atul","family":"Hawani B","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0002-2373-427X","authenticated-orcid":false,"given":"Nabila Shafa Yumna","family":"Salsabila","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Elvina Rashida","family":"Khairi","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Muhaimin","family":"Rifa\u2019i","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.compbiolchem.2026.109131_bib1","doi-asserted-by":"crossref","first-page":"63","DOI":"10.1016\/j.colsurfa.2015.03.006","article-title":"Effects of the PEG molecular weight of a PEG-lipid and cholesterol on PEG chain flexibility on liposome surfaces","volume":"474","author":"Abe","year":"2015","journal-title":"Colloids Surf. A Physicochem. Eng. Asp."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib2","series-title":"IEEE 5th International Conference on Electro-Computing Technologies for Humanity (NIGERCON). Presented at the 2024 IEEE 5th International Conference on Electro-Computing Technologies for Humanity (NIGERCON)","first-page":"1","article-title":"An overview of possible Inhibitors of DPP-4 protein and their essential roles in the management of diabetes mellitus, in: 2024","author":"Afolabi","year":"2024"},{"key":"10.1016\/j.compbiolchem.2026.109131_bib3","doi-asserted-by":"crossref","first-page":"396","DOI":"10.1016\/j.sajb.2017.09.017","article-title":"Tithonia diversifolia (Hemsl) A. Gray. (Asteraceae: Heliantheae), an invasive plant of significant ethnopharmacological importance: a review","volume":"113","author":"Ajao","year":"2017","journal-title":"South Afr. J. Bot."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib4","doi-asserted-by":"crossref","first-page":"230","DOI":"10.1016\/j.biopha.2016.09.039","article-title":"Antidiabetic and antihyperlipidemic activity of p-coumaric acid in diabetic rats, role of pancreatic GLUT 2: in vivo approach","volume":"84","author":"Amalan","year":"2016","journal-title":"Biomed. Pharmacother."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib5","doi-asserted-by":"crossref","first-page":"183","DOI":"10.1016\/j.fct.2014.06.010","article-title":"Synergistic effect of quercetin and quinic acid by alleviating structural degeneration in the liver, kidney and pancreas tissues of STZ-induced diabetic rats: a mechanistic study","volume":"71","author":"Arya","year":"2014","journal-title":"Food Chem. Toxicol."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib6","doi-asserted-by":"crossref","first-page":"498","DOI":"10.1016\/j.ccell.2019.10.002","article-title":"A potent and selective small-molecule degrader of STAT3 achieves complete tumor regression in vivo","volume":"36","author":"Bai","year":"2019","journal-title":"Cancer Cell"},{"key":"10.1016\/j.compbiolchem.2026.109131_bib7","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":"10.1016\/j.compbiolchem.2026.109131_bib8","doi-asserted-by":"crossref","first-page":"9622","DOI":"10.1021\/acs.langmuir.9b01367","article-title":"Refined Empirical Force Field to Model Protein\u2013Self-Assembled Monolayer Interactions Based on AMBER14 and GAFF","volume":"35","author":"Bhadra","year":"2019","journal-title":"Langmuir"},{"key":"10.1016\/j.compbiolchem.2026.109131_bib9","doi-asserted-by":"crossref","first-page":"397","DOI":"10.1002\/bdd.2022","article-title":"TKI combination therapy: strategy to enhance dasatinib uptake by inhibiting P-gp- and BCRP-mediated efflux","volume":"37","author":"D\u2019Cunha","year":"2016","journal-title":"Biopharm. & Drug Disp."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib10","doi-asserted-by":"crossref","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":"10.1016\/j.compbiolchem.2026.109131_bib11","doi-asserted-by":"crossref","first-page":"W357","DOI":"10.1093\/nar\/gkz382","article-title":"SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small molecules","volume":"47","author":"Daina","year":"2019","journal-title":"Nucleic Acids Res."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib12","doi-asserted-by":"crossref","first-page":"150","DOI":"10.1016\/j.peptides.2017.10.011","article-title":"Peptide degradation and the role of DPP-4 inhibitors in the treatment of type 2 diabetes","volume":"100","author":"Deacon","year":"2018","journal-title":"Peptides"},{"key":"10.1016\/j.compbiolchem.2026.109131_bib13","doi-asserted-by":"crossref","first-page":"200","DOI":"10.62567\/micjo.v3i1.1565","article-title":"DESCRIPTION OF THE ADMINISTRATION OF BOILED MORINGA LEAVES TO REDUCE RANDOM BLOOD GLUCOSE LEVELS IN MRS. D WITH TYPE 2 DIABETES MELLITUS IN SIKAMPUH VILLAGE, KROYA DISTRICT, CILACAP REGENCY","volume":"3","author":"Dini","year":"2026","journal-title":"MICJO"},{"key":"10.1016\/j.compbiolchem.2026.109131_bib14","doi-asserted-by":"crossref","first-page":"4308","DOI":"10.3390\/molecules29184308","article-title":"Plant-Based Products Originating from Serbia That Affect P-glycoprotein Activity","volume":"29","author":"Dini\u0107","year":"2024","journal-title":"Molecules"},{"key":"10.1016\/j.compbiolchem.2026.109131_bib15","doi-asserted-by":"crossref","DOI":"10.3389\/fendo.2022.1006376","article-title":"Oxidative stress-mediated beta cell death and dysfunction as a target for diabetes management","volume":"13","author":"Dini\u0107","year":"2022","journal-title":"Front. Endocrinol."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib16","doi-asserted-by":"crossref","first-page":"823","DOI":"10.1016\/j.bcp.2011.11.028","article-title":"DPP-4 inhibitors in the treatment of type 2 diabetes","volume":"83","author":"Duez","year":"2012","journal-title":"Biochem. Pharmacol."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib17","doi-asserted-by":"crossref","first-page":"444","DOI":"10.1007\/s10593-014-1496-1","article-title":"Prediction of the Biological Activity Spectra of Organic Compounds Using the Pass Online Web Resource","volume":"50","author":"Filimonov","year":"2014","journal-title":"Chem. Heterocycl. Comp."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib18","doi-asserted-by":"crossref","first-page":"233","DOI":"10.1038\/6675","article-title":"Structural characterization of nitric oxide synthase isoforms reveals striking active-site conservation","volume":"6","author":"Fischmann","year":"1999","journal-title":"Nat. Struct. Biol."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib19","doi-asserted-by":"crossref","first-page":"W422","DOI":"10.1093\/nar\/gkae236","article-title":"ADMETlab 3.0: an updated comprehensive online ADMET prediction platform enhanced with broader coverage, improved performance, API functionality and decision support","volume":"52","author":"Fu","year":"2024","journal-title":"Nucleic Acids Res."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib20","doi-asserted-by":"crossref","first-page":"1022","DOI":"10.1126\/science.1116304","article-title":"Small-Molecule Inhibition of TNF-\u03b1","volume":"310","author":"He","year":"2005","journal-title":"Science"},{"key":"10.1016\/j.compbiolchem.2026.109131_bib21","doi-asserted-by":"crossref","first-page":"365","DOI":"10.31083\/j.fbl2812365","article-title":"Transcriptome and Pathway Analysis Reveals that Adipose-derived Stem Cells Target Inflammatory Factors and Delay the Progression of Diabetic Liver Disease","volume":"28","author":"Hou","year":"2023","journal-title":"Front. Biosci. (Landmark Ed."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib22","doi-asserted-by":"crossref","first-page":"273","DOI":"10.4161\/auto.5.2.7640","article-title":"To die or to live: the dual role of poly(ADP-ribose) polymerase-1 in autophagy and necrosis under oxidative stress and DNA damage","volume":"5","author":"Huang","year":"2009","journal-title":"Autophagy"},{"key":"10.1016\/j.compbiolchem.2026.109131_bib23","doi-asserted-by":"crossref","first-page":"2795","DOI":"10.3390\/molecules29122795","article-title":"Anti-Inflammatory, Wound Healing, and Anti-Diabetic Effects of Pure Active Compounds Present in the Ryudai Gold Variety of Curcuma longa","volume":"29","author":"Islam","year":"2024","journal-title":"Molecules"},{"key":"10.1016\/j.compbiolchem.2026.109131_bib24","doi-asserted-by":"crossref","first-page":"2719","DOI":"10.3390\/ijms22052719","article-title":"The Role of Tumor Necrosis Factor Alpha (TNF-\u03b1) in Autoimmune Disease and Current TNF-\u03b1 Inhibitors in Therapeutics","volume":"22","author":"Jang","year":"2021","journal-title":"IJMS"},{"key":"10.1016\/j.compbiolchem.2026.109131_bib25","doi-asserted-by":"crossref","first-page":"4545","DOI":"10.1007\/s11101-024-10047-9","article-title":"Insights into one drug, multi-target aspects of polyphenols for diabetes management: in vitro, in vivo, and clinical evidence","volume":"24","author":"Kannan","year":"2025","journal-title":"Phytochem Rev."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib26","article-title":"Effects of Curcuminoids Plus Piperine Co-Supplementation on Liver Enzymes and Inflammation in Adults: A GRADE -Assessed Systematic Review and Meta-Analysis. Food Science &amp","volume":"13","author":"Karimi","year":"2025","journal-title":"Nutrition"},{"key":"10.1016\/j.compbiolchem.2026.109131_bib27","doi-asserted-by":"crossref","first-page":"453","DOI":"10.22270\/jddt.v9i1-s.2339","article-title":"Polyherbal Formulation Concept for Synergic Action: A Review","volume":"9","author":"Karole","year":"2019","journal-title":"J. Drug Deliv. Ther."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib28","doi-asserted-by":"crossref","first-page":"996","DOI":"10.1002\/jcc.23899","article-title":"New ways to boost molecular dynamics simulations","volume":"36","author":"Krieger","year":"2015","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib29","doi-asserted-by":"crossref","first-page":"D401","DOI":"10.1093\/nar\/gkt1207","article-title":"STITCH 4: integration of protein\u2013chemical interactions with user data","volume":"42","author":"Kuhn","year":"2014","journal-title":"Nucl. Acids Res."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib30","doi-asserted-by":"crossref","first-page":"1256","DOI":"10.5530\/pj.2019.11.195","article-title":"Pharmacognostical Studies and Determination of Total Flavonoids of Paitan (Tithonia diversifolia (Hemsl.) A. Gray","volume":"11","author":"Ladeska","year":"2019","journal-title":"PJ"},{"key":"10.1016\/j.compbiolchem.2026.109131_bib31","doi-asserted-by":"crossref","first-page":"2308","DOI":"10.2337\/db12-1097","article-title":"Vivo JNK Activation in Pancreatic b-Cells Leads to Glucose Intolerance Caused by Insulin Resistance in Pancreas","volume":"62","author":"Lanuza-Masdeu","year":"2013","journal-title":"Diabetes"},{"key":"10.1016\/j.compbiolchem.2026.109131_bib32","doi-asserted-by":"crossref","first-page":"489","DOI":"10.1089\/ars.2010.3416","article-title":"Two Tales of Antioxidant Enzymes on b Cells and Diabetes","volume":"14","author":"Lei","year":"2011","journal-title":"Antioxid. & REDOX Signal."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib33","article-title":"Revisiting the Antigen-Presenting Function of \u03b2 Cells in T1D Pathogenesis","volume":"12","author":"Li","year":"2021","journal-title":"Front. Immunol."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib34","doi-asserted-by":"crossref","first-page":"3","DOI":"10.2174\/1573399812666151016101622","article-title":"Chronic Complications of Diabetes Mellitus: A Mini Review","volume":"13","author":"Lotfy","year":"2016","journal-title":"CDR"},{"key":"10.1016\/j.compbiolchem.2026.109131_bib35","doi-asserted-by":"crossref","first-page":"3235","DOI":"10.2147\/DDDT.S257494","article-title":"Potential Impact of the Multi-Target Drug Approach in the Treatment of Some Complex Diseases","volume":"14","author":"Makhoba","year":"2020","journal-title":"DDDT"},{"key":"10.1016\/j.compbiolchem.2026.109131_bib36","doi-asserted-by":"crossref","first-page":"4157","DOI":"10.7150\/ijbs.86492","article-title":"The PTGS2\/COX2-PGE2 signaling cascade in inflammation: Pro or anti? A case study with type 1 diabetes mellitus","volume":"19","author":"Mart\u00edn-V\u00e1zquez","year":"2023","journal-title":"Int. J. Biol. Sci."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib37","doi-asserted-by":"crossref","DOI":"10.3389\/fendo.2021.669448","article-title":"The Effects of Curcumin on Diabetes Mellitus: A Systematic Review","volume":"12","author":"Marton","year":"2021","journal-title":"Front. Endocrinol."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib38","doi-asserted-by":"crossref","DOI":"10.1016\/j.fitote.2025.106635","article-title":"Safety assessment of Detarium microcarpum Guil. & Perr. (Leguminosae) root bark extract in rats: Acute, sub-acute toxicity, ADMET, molecular docking, and molecular dynamics simulations approach","volume":"184","author":"Mbock","year":"2025","journal-title":"Fitoterapia"},{"key":"10.1016\/j.compbiolchem.2026.109131_bib39","doi-asserted-by":"crossref","first-page":"443","DOI":"10.1016\/j.beem.2009.03.005","article-title":"Mechanisms underlying the rapid degradation and elimination of the incretin hormones GLP-1 and GIP","volume":"23","author":"Mentlein","year":"2009","journal-title":"Best. Pract. & Res. Clin. Endocrinol. & Metab."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib40","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1155\/2019\/9846312","article-title":"Therapeutic Targeting of the Proinflammatory IL-6-JAK\/STAT Signalling Pathways Responsible for Vascular Restenosis in Type 2 Diabetes Mellitus","volume":"2019","author":"Moshapa","year":"2019","journal-title":"Cardiol. Res. Pract."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib41","doi-asserted-by":"crossref","first-page":"18408","DOI":"10.1007\/s11356-022-18534-2","article-title":"Role and mechanism(s) of incretin-dependent therapies for treating diabetes mellitus","volume":"29","author":"Nasr","year":"2022","journal-title":"Environ. Sci. Pollut. Res"},{"key":"10.1016\/j.compbiolchem.2026.109131_bib42","doi-asserted-by":"crossref","first-page":"33","DOI":"10.1186\/1758-2946-3-33","article-title":"Open Babel: An open chemical toolbox","volume":"3","author":"O\u2019Boyle","year":"2011","journal-title":"J. Chemin.-."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib43","doi-asserted-by":"crossref","first-page":"2266","DOI":"10.1093\/nar\/gkab020","article-title":"Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition","volume":"49","author":"Ogden","year":"2021","journal-title":"Nucleic Acids Res."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib44","doi-asserted-by":"crossref","first-page":"772","DOI":"10.1107\/S2053230X16014230","article-title":"Crystal structure of rofecoxib bound to human cyclooxygenase-2","volume":"72","author":"Orlando","year":"2016","journal-title":"Acta Crystallogr F. Struct. Biol. Commun."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib45","doi-asserted-by":"crossref","first-page":"5130","DOI":"10.1021\/jm300025r","article-title":"Discovery of Checkpoint Kinase Inhibitor ( S)-5-(3-Fluorophenyl)- N -(piperidin-3-yl)-3-ureidothiophene-2-carboxamide (AZD7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas","volume":"55","author":"Oza","year":"2012","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib46","doi-asserted-by":"crossref","first-page":"389","DOI":"10.1016\/j.jep.2013.03.024","article-title":"Repeated-dose toxicological studies of Tithonia diversifolia (Hemsl.) A. gray and identification of the toxic compounds","volume":"147","author":"Passoni","year":"2013","journal-title":"J. Ethnopharmacol."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib47","doi-asserted-by":"crossref","first-page":"3059","DOI":"10.1073\/pnas.96.6.3059","article-title":"Poly(ADP-ribose) polymerase-deficient mice are protected from streptozotocin-induced diabetes","volume":"96","author":"Pieper","year":"1999","journal-title":"Proc. Natl. Acad. Sci."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib48","doi-asserted-by":"crossref","first-page":"422","DOI":"10.3390\/jpm13030422","article-title":"Type 1 diabetes mellitus and autoimmune diseases: a critical review of the association and the application of personalized medicine","volume":"13","author":"Popoviciu","year":"2023","journal-title":"JPM"},{"key":"10.1016\/j.compbiolchem.2026.109131_bib49","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1155\/2018\/9601801","article-title":"Pancreatic beta cell death: novel potential mechanisms in diabetes therapy","volume":"2018","author":"Rojas","year":"2018","journal-title":"J. Diabetes Res."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib50","first-page":"59","article-title":"Curcuma longa Linn. A Phytochemical and Phytopharmacological Review","volume":"5","author":"Sabale","year":"2013","journal-title":"Res. J. Pharmacogn. Phytochem."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib51","doi-asserted-by":"crossref","first-page":"1561","DOI":"10.1016\/S0006-2952(01)00605-0","article-title":"Role of p38 mitogen-activated protein kinase (p38 MAPK) in cytokine-induced rat islet cell apoptosis","volume":"61","author":"Saldeen","year":"2001","journal-title":"Biochem. Pharmacol."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib52","doi-asserted-by":"crossref","first-page":"2097","DOI":"10.1021\/es5002105","article-title":"Identifying small molecules via high resolution mass spectrometry: communicating confidence","volume":"48","author":"Schymanski","year":"2014","journal-title":"Environ. Sci. Technol."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib53","doi-asserted-by":"crossref","first-page":"17147","DOI":"10.3390\/ijms242417147","article-title":"Drug Therapies for Diabetes","volume":"24","author":"Sibony","year":"2023","journal-title":"IJMS"},{"key":"10.1016\/j.compbiolchem.2026.109131_bib54","unstructured":"Srinivasan, A., Menon, V.P., Periaswamy, V., Rajasekaran, K.N., 2003. Protection of pancreatic \u03b2-cell by the potential antioxidant bis-o- hydroxycinnamoyl methane, analogue of natural curcuminoid in experimental diabetes."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib55","doi-asserted-by":"crossref","first-page":"1464","DOI":"10.1016\/j.bmcl.2011.11.054","article-title":"Novel heterocyclic DPP-4 inhibitors for the treatment of type 2 diabetes","volume":"22","author":"Sutton","year":"2012","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib56","doi-asserted-by":"crossref","first-page":"60","DOI":"10.1016\/j.phrs.2005.02.015","article-title":"Roles of poly(ADP-ribose) polymerase activation in the pathogenesis of diabetes mellitus and its complications","volume":"52","author":"Szab\u00f3","year":"2005","journal-title":"Pharmacol. Res."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib57","doi-asserted-by":"crossref","first-page":"D607","DOI":"10.1093\/nar\/gky1131","article-title":"STRING v11: protein\u2013protein association networks with increased coverage, supporting functional discovery in genome-wide experimental datasets","volume":"47","author":"Szklarczyk","year":"2019","journal-title":"Nucleic Acids Res."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib58","doi-asserted-by":"crossref","first-page":"604","DOI":"10.1007\/s00125-021-05648-4","article-title":"Effectiveness of continuous glucose monitoring in maintaining glycaemic control among people with type 1 diabetes mellitus: a systematic review of randomised controlled trials and meta-analysis","volume":"65","author":"Teo","year":"2022","journal-title":"Diabetologia"},{"key":"10.1016\/j.compbiolchem.2026.109131_bib59","doi-asserted-by":"crossref","first-page":"455","DOI":"10.1002\/jcc.21334","article-title":"AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading","volume":"31","author":"Trott","year":"2010","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib60","doi-asserted-by":"crossref","first-page":"427","DOI":"10.1080\/15513815.2024.2393357","article-title":"AKT1 and MAPK8: new targets for gestational diabetes mellitus?","volume":"43","author":"Turkyilmaz","year":"2024","journal-title":"Fetal Pediatr. Pathol."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib61","doi-asserted-by":"crossref","first-page":"278","DOI":"10.1038\/nrd4231","article-title":"Targeting the pancreatic \u03b2-cell to treat diabetes","volume":"13","author":"Vetere","year":"2014","journal-title":"Nat. Rev. Drug Discov."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib62","doi-asserted-by":"crossref","first-page":"303","DOI":"10.1016\/S0896-8411(03)00039-8","article-title":"IL-1\u03b2, IFN-\u03b3 and TNF-\u03b1 increase vulnerability of pancreatic beta cells to autoimmune destruction","volume":"20","author":"Wachlin","year":"2003","journal-title":"J. Autoimmun."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib63","doi-asserted-by":"crossref","DOI":"10.1016\/j.compbiolchem.2025.108374","article-title":"Virtual screening of polyherbal compounds for AKT1 and HSPB1 inhibition in breast cancer apoptosis pathway","volume":"115","author":"Wahyuningsih","year":"2025","journal-title":"Comput. Biol. Chem."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib64","doi-asserted-by":"crossref","first-page":"3873","DOI":"10.1080\/10408398.2020.1870099","article-title":"Bioactive components and anti-diabetic properties of Moringa oleifera Lam","volume":"62","author":"Wang","year":"2022","journal-title":"Crit. Rev. Food Sci. Nutr."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib65","doi-asserted-by":"crossref","first-page":"691","DOI":"10.1507\/endocrj.EJ19-0015","article-title":"Opposing effects of IL-1\u03b2\/COX-2\/PGE2 pathway loop on islets in type 2 diabetes mellitus","volume":"66","author":"Wang","year":"2019","journal-title":"Endocr. J."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib66","first-page":"1","article-title":"DPP-4 inhibitors as treatments for type 1 diabetes mellitus: a systematic review and meta-analysis","volume":"2018","author":"Wang","year":"2018","journal-title":"J. Diabetes Res."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib67","doi-asserted-by":"crossref","DOI":"10.1016\/j.dnarep.2019.102651","article-title":"PARP-1 and its associated nucleases in DNA damage response","volume":"81","author":"Wang","year":"2019","journal-title":"DNA Repair"},{"key":"10.1016\/j.compbiolchem.2026.109131_bib68","doi-asserted-by":"crossref","first-page":"2797","DOI":"10.5958\/0974-360X.2020.00497.7","article-title":"Isolation, Synthesis Nanoparticle, and In-vitro test of Pinostrobin from Kaempferia pandurata on MCF-7 and MDAMB-231 Breast Cancer Cell","volume":"13","author":"Wiyono","year":"2020","journal-title":"Rese. Jour. Pharm. Technol."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib69","doi-asserted-by":"crossref","DOI":"10.3892\/mmr.2017.7911","article-title":"Curcumin alleviates liver oxidative stress in type 1 diabetic rats","author":"Xie","year":"2017","journal-title":"Mol. Med Rep."},{"key":"10.1016\/j.compbiolchem.2026.109131_bib70","doi-asserted-by":"crossref","first-page":"55","DOI":"10.1002\/psp4.12733","article-title":"Physiologically-based pharmacokinetic modeling to evaluate in vitro-to-in vivo extrapolation for intestinal P-glycoprotein inhibition","volume":"11","author":"Yamazaki","year":"2022","journal-title":"CPT Pharm. Syst. Pharma"},{"key":"10.1016\/j.compbiolchem.2026.109131_bib71","doi-asserted-by":"crossref","first-page":"1590","DOI":"10.1016\/j.fitote.2012.09.007","article-title":"Three new sesquiterpenes from Tithonia diversifolia and their anti-hyperglycemic activity","volume":"83","author":"Zhao","year":"2012","journal-title":"Fitoterapia"}],"container-title":["Computational Biology and Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1476927126002574?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1476927126002574?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,6,18]],"date-time":"2026-06-18T20:17:17Z","timestamp":1781813837000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1476927126002574"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,10]]},"references-count":71,"alternative-id":["S1476927126002574"],"URL":"https:\/\/doi.org\/10.1016\/j.compbiolchem.2026.109131","relation":{},"ISSN":["1476-9271"],"issn-type":[{"value":"1476-9271","type":"print"}],"subject":[],"published":{"date-parts":[[2026,10]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Integrated metabolomics and computational pharmacology to reveal the complementary antidiabetic mechanisms of Tithonia\u2013Curcuma\u2013Moringa (TCM) polyherbal","name":"articletitle","label":"Article Title"},{"value":"Computational Biology and Chemistry","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.compbiolchem.2026.109131","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2026 Elsevier Ltd. All rights are reserved, including those for text and data mining, AI training, and similar technologies.","name":"copyright","label":"Copyright"}],"article-number":"109131"}}