{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,4]],"date-time":"2026-08-04T00:26:42Z","timestamp":1785803202161,"version":"3.56.0"},"reference-count":67,"publisher":"Springer Science and Business Media LLC","issue":"6","license":[{"start":{"date-parts":[[2025,2,25]],"date-time":"2025-02-25T00:00:00Z","timestamp":1740441600000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"},{"start":{"date-parts":[[2025,2,25]],"date-time":"2025-02-25T00:00:00Z","timestamp":1740441600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"}],"funder":[{"name":"Young Researcher Development Project of Khon Kaen University Year 2024"},{"name":"Faculty of Science, Khon Kaen University"},{"name":"Kasetsart University Research and Development Institute (KURDI) under the Grant number of FF(KU)51.67"}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["Mol Divers"],"published-print":{"date-parts":[[2025,12]]},"DOI":"10.1007\/s11030-025-11141-6","type":"journal-article","created":{"date-parts":[[2025,2,24]],"date-time":"2025-02-24T21:29:45Z","timestamp":1740432585000},"page":"6293-6309","update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":5,"title":["Mechanistic study of \u03b1-mangostin derivatives as potent \u03b1-glucosidase inhibitors"],"prefix":"10.1007","volume":"29","author":[{"given":"Kamonpan","family":"Sanachai","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Supakarn","family":"Chamni","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Bodee","family":"Nutho","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Saranyu","family":"Khammuang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Juthamat","family":"Ratha","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kiattawee","family":"Choowongkomon","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ploenthip","family":"Puthongking","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2025,2,25]]},"reference":[{"key":"11141_CR1","doi-asserted-by":"publisher","first-page":"277","DOI":"10.1016\/j.bioorg.2019.02.001","volume":"86","author":"Z Zeng","year":"2019","unstructured":"Zeng Z, Yin X, Wang X, Yang W, Liu X, Hong Y (2019) Synthesis of water soluble pentacyclic dihydroxyterpene carboxylic acid derivatives coupled amino acids and their inhibition activities on alpha-glucosidase. Bioorg Chem 86:277\u2013287. https:\/\/doi.org\/10.1016\/j.bioorg.2019.02.001","journal-title":"Bioorg Chem"},{"issue":"1","key":"11141_CR2","doi-asserted-by":"publisher","first-page":"8","DOI":"10.1097\/XCE.0000000000000116","volume":"6","author":"W Fan","year":"2017","unstructured":"Fan W (2017) Epidemiology in diabetes mellitus and cardiovascular disease. Cardiovasc Endocrinol 6(1):8\u201316. https:\/\/doi.org\/10.1097\/XCE.0000000000000116","journal-title":"Cardiovasc Endocrinol"},{"key":"11141_CR3","doi-asserted-by":"publisher","first-page":"3655","DOI":"10.2147\/DMSO.S382528","volume":"15","author":"M Sodeno","year":"2022","unstructured":"Sodeno M, Aung MN, Yuasa M, Moolphate S, Klinbuayaem V, Srikhamsao A, Aung TNN, Sato S, Tanigawa T (2022) Association between physical activity and type 2 diabetes using the international physical activity questionnaires: a case-control study at a health promoting hospital in Chiang Mai, Northern Thailand. Diabetes Metab Syndr Obes 15:3655\u20133667. https:\/\/doi.org\/10.2147\/DMSO.S382528","journal-title":"Diabetes Metab Syndr Obes"},{"issue":"20","key":"11141_CR4","doi-asserted-by":"publisher","first-page":"2722","DOI":"10.3390\/plants11202722","volume":"11","author":"H Kashtoh","year":"2022","unstructured":"Kashtoh H, Baek KH (2022) Recent updates on phytoconstituent alpha-glucosidase inhibitors: an approach towards the treatment of type two diabetes. Plants 11(20):2722. https:\/\/doi.org\/10.3390\/plants11202722","journal-title":"Plants"},{"key":"11141_CR5","doi-asserted-by":"publisher","DOI":"10.1007\/s11030-024-10943-4","author":"J Sun","year":"2024","unstructured":"Sun J, Xiao D, Lang M, Xu X (2024) Novel sulfonyl hydrazide based \u03b2-carboline derivatives as potential \u03b1-glucosidase inhibitors: design, synthesis, and biological evaluation. Mol Divers. https:\/\/doi.org\/10.1007\/s11030-024-10943-4","journal-title":"Mol Divers"},{"issue":"8","key":"11141_CR6","doi-asserted-by":"publisher","first-page":"4529","DOI":"10.1039\/c9ra09028b","volume":"10","author":"L Jiang","year":"2020","unstructured":"Jiang L, Wang Z, Wang X, Wang S, Cao J, Liu Y (2020) Exploring the inhibitory mechanism of piceatannol on \u03b1-glucosidase relevant to diabetes mellitus. RSC Adv 10(8):4529\u20134537. https:\/\/doi.org\/10.1039\/c9ra09028b","journal-title":"RSC Adv"},{"key":"11141_CR7","doi-asserted-by":"publisher","DOI":"10.1016\/j.bioorg.2022.105996","volume":"127","author":"M Noori","year":"2022","unstructured":"Noori M, Rastak M, Halimi M, Ghomi MK, Mollazadeh M, Khanaposhtani MM, Sayahi MH, Rezaei Z, Mojtabavi S, Faramarzi MA, Larijani B, Biglar M, Amanlou M, Mahdavi M (2022) Design, synthesis, in vitro, and in silico enzymatic evaluations of thieno[2,3-b]quinoline-hydrazones as novel inhibitors for \u03b1-glucosidase. Bioorg Chem 127:105996. https:\/\/doi.org\/10.1016\/j.bioorg.2022.105996","journal-title":"Bioorg Chem"},{"key":"11141_CR8","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2024.141252","volume":"1328","author":"Y Zhang","year":"2025","unstructured":"Zhang Y, Liu J, Li J, Sun J, Liang B, Min X, Xiong Z, Chen WH, Xu X (2025) Design, synthesis and biological evaluation of a 1,2,3-triazolyl-bearing betulinic acid derivatives as \u03b1-glucosidase inhibitors. J Mol Struct 1328:141252. https:\/\/doi.org\/10.1016\/j.molstruc.2024.141252","journal-title":"J Mol Struct"},{"issue":"5","key":"11141_CR9","doi-asserted-by":"publisher","first-page":"899","DOI":"10.5114\/aoms.2012.31621","volume":"8","author":"G Derosa","year":"2012","unstructured":"Derosa G, Maffioli P (2012) Mini-special issue paper management of diabetic patients with hypoglycemic agents \u03b1-Glucosidase inhibitors and their use in clinical practice. Arch Med Sci 8(5):899\u2013906. https:\/\/doi.org\/10.5114\/aoms.2012.31621","journal-title":"Arch Med Sci"},{"issue":"14","key":"11141_CR10","doi-asserted-by":"publisher","first-page":"4526","DOI":"10.3390\/molecules27144526","volume":"27","author":"S Ahmed","year":"2022","unstructured":"Ahmed S, Ali MC, Ruma RA, Mahmud S, Paul GK, Saleh MA, Alshahrani MM, Obaidullah AJ, Biswas SK, Rahman MM, Rahman MM, Islam MR (2022) Molecular docking and dynamics simulation of natural compounds from betel leaves (Piper betle L.) for investigating the potential inhibition of alpha-amylase and alpha-glucosidase of type 2 diabetes. Molecules 27(14):4526. https:\/\/doi.org\/10.3390\/molecules27144526","journal-title":"Molecules"},{"issue":"18","key":"11141_CR11","doi-asserted-by":"publisher","first-page":"6623","DOI":"10.3390\/molecules28186623","volume":"28","author":"Z Khalid","year":"2023","unstructured":"Khalid Z, Shafqat SS, Ahmad HA, Munawar MA, Mutahir S, Elkholi SM, Shafqat SR, Huma R, Asiri AM (2023) A combined experimental and computational study of novel benzotriazinone carboxamides as alpha-glucosidase inhibitors. Molecules 28(18):6623. https:\/\/doi.org\/10.3390\/molecules28186623","journal-title":"Molecules"},{"issue":"1","key":"11141_CR12","doi-asserted-by":"publisher","first-page":"1279","DOI":"10.1021\/acsomega.4c08872","volume":"10","author":"SAK Kantari","year":"2024","unstructured":"Kantari SAK, Kanchi S, Patnaik B, Agraharam A (2024) Computational exploration of phenolic compounds from endophytic fungi as \u03b1-glucosidase inhibitors for diabetes management. ACS Omega 10(1):1279\u20131292. https:\/\/doi.org\/10.1021\/acsomega.4c08872","journal-title":"ACS Omega"},{"key":"11141_CR13","doi-asserted-by":"publisher","first-page":"2964","DOI":"10.1016\/j.csbj.2024.07.003","volume":"23","author":"AI Odugbemi","year":"2024","unstructured":"Odugbemi AI, Nyirenda C, Christoffels A, Egieyeh SA (2024) Artificial intelligence in antidiabetic drug discovery: the advances in QSAR and the prediction of \u03b1-glucosidase inhibitors. Comput Struct Biotechnol J 23:2964\u20132977. https:\/\/doi.org\/10.1016\/j.csbj.2024.07.003","journal-title":"Comput Struct Biotechnol J"},{"issue":"17","key":"11141_CR14","doi-asserted-by":"publisher","first-page":"15660","DOI":"10.1021\/acsomega.3c01130","volume":"8","author":"L Rasheed","year":"2023","unstructured":"Rasheed L, Rehman W, Rahim F, Ali Z, Alanazi AS, Hussain RA, Khan I, Alanazi MM, Naseer M, Abdellattif MH, Hussain RI, Khan S, Taha M, Shah SAA (2023) Molecular modeling and synthesis of indoline-2,3-dione-based benzene sulfonamide derivatives and their inhibitory activity against \u03b1-glucosidase and \u03b1-amylase enzymes. ACS Omega 8(17):15660\u201315672. https:\/\/doi.org\/10.1021\/acsomega.3c01130","journal-title":"ACS Omega"},{"issue":"43","key":"11141_CR15","doi-asserted-by":"publisher","first-page":"13464","DOI":"10.1021\/jp4067235","volume":"117","author":"Y Liu","year":"2013","unstructured":"Liu Y, Ma L, Chen WH, Park H, Ke Z, Wang B (2013) Binding mechanism and synergetic effects of xanthone derivatives as noncompetitive \u03b1-glucosidase inhibitors: a theoretical and experimental study. J Phys Chem B 117(43):13464\u201313471. https:\/\/doi.org\/10.1021\/jp4067235","journal-title":"J Phys Chem B"},{"issue":"34","key":"11141_CR16","doi-asserted-by":"publisher","first-page":"30215","DOI":"10.1021\/acsomega.2c03328","volume":"7","author":"R Mehmood","year":"2022","unstructured":"Mehmood R, Mughal EU, Elkaeed EB, Obaid RJ, Nazir Y, Ghulikah HAA, Naeem N, Rooqi MMA, Ahmed SA, Shah SWA, Sadiq A (2022) Synthesis of novel 2,3-dihydro-1,5-benzothiazepines as \u03b1-glucosidase inhibitors: in vitro, in vivo, kinetic, SAR, molecular docking, and QSAR studies. ACS Omega 7(34):30215\u201330232. https:\/\/doi.org\/10.1021\/acsomega.2c03328","journal-title":"ACS Omega"},{"key":"11141_CR17","doi-asserted-by":"publisher","DOI":"10.3389\/fchem.2021.639279","volume":"9","author":"SK Liu","year":"2021","unstructured":"Liu SK, Hao H, BianY GYX, Lu S, Xie HX, Wang KM, Tao H, Yuan C, Zhang JU, Zhang JI, Jiang CS, Zhu K (2021) Discovery of new \u03b1-glucosidase inhibitors: structure-based virtual screening and biological evaluation. Front Chem 9:639279. https:\/\/doi.org\/10.3389\/fchem.2021.639279","journal-title":"Front Chem"},{"issue":"11","key":"11141_CR18","doi-asserted-by":"publisher","first-page":"1791","DOI":"10.1021\/acsmedchemlett.2c00405","volume":"13","author":"Y Wu","year":"2022","unstructured":"Wu Y, Liu C, Hu L (2022) Fragment-based dynamic combinatorial chemistry for identification of selective \u03b1-glucosidase inhibitors. ACS Med Chem Lett 13(11):1791\u20131796. https:\/\/doi.org\/10.1021\/acsmedchemlett.2c00405","journal-title":"ACS Med Chem Lett"},{"issue":"8","key":"11141_CR19","doi-asserted-by":"publisher","first-page":"1574","DOI":"10.1021\/acs.jafc.6b05445","volume":"65","author":"H Sun","year":"2017","unstructured":"Sun H, Wang D, Song X, Zhang Y, Ding W, Peng X, Zhang X, Li Y, Ma Y, Wang R, Yu P (2017) Natural prenylchalconaringenins and prenylnaringenins as antidiabetic agents: \u03b1-glucosidase and \u03b1-amylase inhibition and in vivo antihyperglycemic and antihyperlipidemic effects. J Agric Food Chem 65(8):1574\u20131581. https:\/\/doi.org\/10.1021\/acs.jafc.6b05445","journal-title":"J Agric Food Chem"},{"issue":"3","key":"11141_CR20","doi-asserted-by":"publisher","first-page":"1104","DOI":"10.3390\/molecules28031104","volume":"28","author":"NYL Pyae","year":"2023","unstructured":"Pyae NYL, Maiuthed A, Phongsopitanun W, Ouengwanarat B, Sukma W, Srimongkolpithak N, Pengon J, Rattanajak R, Kamchonwongpaisan S, Ei ZZ, Chunhacha P, Wilasluck P, Deetanya P, Wangkanont K, Hengphasatporn K, Shigeta Y, Rungrotmongkol T, Chamni S (2023) N-containing \u03b1-mangostin analogs via smiles rearrangement as the promising cytotoxic, antitrypanosomal, and SARS-CoV-2 main protease inhibitory agents. Molecules 28(3):1104. https:\/\/doi.org\/10.3390\/molecules28031104","journal-title":"Molecules"},{"key":"11141_CR21","doi-asserted-by":"publisher","DOI":"10.1016\/j.biopha.2023.114710","volume":"163","author":"M Alam","year":"2023","unstructured":"Alam M, Rashid S, Fatima K, Adnan M, Shafie A, Akhtar MS, Ganie AH, Eldin SM, Islam A, Khan I, Hassan MI (2023) Biochemical features and therapeutic potential of \u03b1-mangostin: mechanism of action, medicinal values, and health benefits. Biomed Pharmacother 163:114710. https:\/\/doi.org\/10.1016\/j.biopha.2023.114710","journal-title":"Biomed Pharmacother"},{"key":"11141_CR22","doi-asserted-by":"publisher","first-page":"4723","DOI":"10.2147\/DDDT.S478388","volume":"18","author":"C Suhandi","year":"2024","unstructured":"Suhandi C, Wilar G, Narsa AC, Mohammed AFA, El-Rayyes A, Muchtaridi M, Shamsuddin S, Safuan S, Wathoni N (2024) Updating the pharmacological effects of \u03b1-mangostin compound and unraveling its mechanism of action: a computational study review. Drug Des Devel Ther 18:4723\u20134748. https:\/\/doi.org\/10.2147\/DDDT.S478388","journal-title":"Drug Des Devel Ther"},{"key":"11141_CR23","doi-asserted-by":"publisher","first-page":"880","DOI":"10.1016\/j.ijbiomac.2022.06.017","volume":"213","author":"Q Wang","year":"2022","unstructured":"Wang Q, Li R, Li N, Jia Y, Wang Y, Chen Y, Panichayupakaranant P, Chen H (2022) The antioxidant activities, inhibitory effects, kinetics, and mechanisms of artocarpin and \u03b1-mangostin on \u03b1-glucosidase and \u03b1-amylase. Int J Biol Macromol 213:880\u2013891. https:\/\/doi.org\/10.1016\/j.ijbiomac.2022.06.017","journal-title":"Int J Biol Macromol"},{"issue":"14","key":"11141_CR24","doi-asserted-by":"publisher","first-page":"7930","DOI":"10.1039\/D2FO00023G","volume":"13","author":"CMM Santos","year":"2022","unstructured":"Santos CMM, Proenca C, Freitas M, Araujo AN, Silva AMS, Fernandes E (2022) Inhibition of the carbohydrate-hydrolyzing enzymes \u03b1-amylase and \u03b1-glucosidase by hydroxylated xanthones. Food Funct 13(14):7930\u20137941. https:\/\/doi.org\/10.1039\/D2FO00023G","journal-title":"Food Funct"},{"key":"11141_CR25","doi-asserted-by":"publisher","first-page":"123","DOI":"10.12962\/J23546026.Y2020I6.9184","volume":"6","author":"K Umami","year":"2021","unstructured":"Umami K, Fadlan A, Ersam T (2021) 3,6-dimethyl ester-\u03b1-mangostin compound Modified from Isolate \u03b1-mangostin Garcinia Mangostana Linn. IPTEK J Proc Series 6:123\u2013126. https:\/\/doi.org\/10.12962\/J23546026.Y2020I6.9184","journal-title":"IPTEK J Proc Series"},{"issue":"12","key":"11141_CR26","doi-asserted-by":"publisher","first-page":"1837","DOI":"10.3390\/biology11121837","volume":"11","author":"AF Maulana","year":"2022","unstructured":"Maulana AF, Sriwidodo S, Rukayadi Y, Maksum IP (2022) In Silico study of mangostin compounds and its derivatives as inhibitors of \u03b1-glucosidase enzymes for anti-diabetic studies. Biology 11(12):1837. https:\/\/doi.org\/10.3390\/biology11121837","journal-title":"Biology"},{"issue":"15","key":"11141_CR27","doi-asserted-by":"publisher","first-page":"4566","DOI":"10.3390\/molecules26154566","volume":"26","author":"Q Dong","year":"2021","unstructured":"Dong Q, Hu N, Yue H, Wang H (2021) Inhibitory activity and mechanism investigation of hypericin as a novel \u03b1-glucosidase inhibitor. Molecules 26(15):4566. https:\/\/doi.org\/10.3390\/molecules26154566","journal-title":"Molecules"},{"issue":"1","key":"11141_CR28","doi-asserted-by":"publisher","first-page":"11911","DOI":"10.1038\/s41598-021-91473-z","volume":"11","author":"F Peytam","year":"2021","unstructured":"Peytam F, Takalloobanafshi G, Saadattalab T, Norouzbahari M, Emamgholipour Z, Moghimi S, Firoozpour L, Bijanzadeh HR, Faramarzi MA, Mojtabavi S, Ranjbar PR, Karima S, Pakraad R, Foroumadi A (2021) Design, synthesis, molecular docking, and in vitro \u03b1-glucosidase inhibitory activities of novel 3-amino-2,4-diarylbenzo[4,5]imidazo[1,2-a]pyrimidines against yeast and rat \u03b1-glucosidase. Sci Rep 11(1):11911. https:\/\/doi.org\/10.1038\/s41598-021-91473-z","journal-title":"Sci Rep"},{"key":"11141_CR29","doi-asserted-by":"publisher","first-page":"522","DOI":"10.1093\/nar\/gkm276","volume":"35","author":"TJ Dolinsky","year":"2007","unstructured":"Dolinsky TJ, Czodrowski P, Li H, Nielsen JE, Jensen JH, Klebe G, Baker NA (2007) PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations. Nucl Acids Res 35:522\u2013525. https:\/\/doi.org\/10.1093\/nar\/gkm276","journal-title":"Nucl Acids Res"},{"issue":"2","key":"11141_CR30","doi-asserted-by":"publisher","first-page":"167","DOI":"10.1080\/14756366.2016.1193736","volume":"31","author":"G Poli","year":"2016","unstructured":"Poli G, Martinelli A, Tuccinardi T (2016) Reliability analysis and optimization of the consensus docking approach for the development of virtual screening studies. J Enzyme Inhib Med Chem 31(2):167\u2013173. https:\/\/doi.org\/10.1080\/14756366.2016.1193736","journal-title":"J Enzyme Inhib Med Chem"},{"issue":"5","key":"11141_CR31","doi-asserted-by":"publisher","first-page":"601","DOI":"10.3390\/antiox13050601","volume":"13","author":"B Nutho","year":"2024","unstructured":"Nutho B, Tungmunnithum D (2024) Anti-aging potential of the two major flavonoids occurring in Asian water lily using in vitro and in silico molecular modeling assessments. Antioxidants 13(5):601. https:\/\/doi.org\/10.3390\/antiox13050601","journal-title":"Antioxidants"},{"key":"11141_CR32","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpc.2023.107125","volume":"304","author":"P Pojtanadithee","year":"2024","unstructured":"Pojtanadithee P, Isswanich K, Buaban K, Chamni S, Wilasluck P, Deetanya P, Wangkanont K, Langer T, Wolschann P, Sanachai K, Rungrotmongkol T (2024) A combination of structure-based virtual screening and experimental strategies to identify the potency of caffeic acid ester derivatives as SARS-CoV-2 3CLpro inhibitor from an in-house database. Biophys Chem 304:107125. https:\/\/doi.org\/10.1016\/j.bpc.2023.107125","journal-title":"Biophys Chem"},{"issue":"37","key":"11141_CR33","doi-asserted-by":"publisher","first-page":"33587","DOI":"10.1021\/acsomega.2c04769","volume":"7","author":"K Sanachai","year":"2022","unstructured":"Sanachai K, Mahalapbutr P, Tabtimmai K, Seetaha S, Kittikool T, Yotphan S, Choowongkomon K, Rungrotmongkol T (2022) Discovery of JAK2\/3 inhibitors from quinoxalinone-containing compounds. ACS Omega 7(37):33587\u201333598. https:\/\/doi.org\/10.1021\/acsomega.2c04769","journal-title":"ACS Omega"},{"key":"11141_CR34","doi-asserted-by":"publisher","DOI":"10.1016\/j.physa.2019.122210","volume":"534","author":"O Farago","year":"2019","unstructured":"Farago O (2019) Langevin thermostat for robust configurational and kinetic sampling. Physica A Stat Mech Appl 534:122210. https:\/\/doi.org\/10.1016\/j.physa.2019.122210","journal-title":"Physica A Stat Mech Appl"},{"issue":"8","key":"11141_CR35","doi-asserted-by":"publisher","first-page":"3684","DOI":"10.1021\/acs.jctc.5b00093","volume":"11","author":"BA Wells","year":"2015","unstructured":"Wells BA, Chaffee AL (2015) Ewald summation for molecular simulations. J Chem Theory Comput 11(8):3684\u20133695. https:\/\/doi.org\/10.1021\/acs.jctc.5b00093","journal-title":"J Chem Theory Comput"},{"issue":"4","key":"11141_CR36","doi-asserted-by":"publisher","first-page":"345","DOI":"10.1007\/s00407-023-00306-0","volume":"77","author":"D Macuglia","year":"2023","unstructured":"Macuglia D (2023) SHAKE and the exact constraint satisfaction of the dynamics of semi-rigid molecules in Cartesian coordinates, 1973\u20131977. Arch Hist Exact Sci 77(4):345\u2013371. https:\/\/doi.org\/10.1007\/s00407-023-00306-0","journal-title":"Arch Hist Exact Sci"},{"issue":"1","key":"11141_CR37","doi-asserted-by":"publisher","first-page":"42717","DOI":"10.1038\/srep42717","volume":"7","author":"A Daina","year":"2017","unstructured":"Daina A, Michielin O, Zoete V (2017) SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules. Sci Rep 7(1):42717. https:\/\/doi.org\/10.1038\/srep42717","journal-title":"Sci Rep"},{"issue":"9","key":"11141_CR38","doi-asserted-by":"publisher","first-page":"4066","DOI":"10.1021\/acs.jmedchem.5b00104","volume":"58","author":"DEV Pires","year":"2015","unstructured":"Pires DEV, Blundell TL, Ascher DB (2015) pkCSM: predicting small-molecule pharmacokinetic and toxicity properties using graph-based signatures. J Med Chem 58(9):4066\u20134072. https:\/\/doi.org\/10.1021\/acs.jmedchem.5b00104","journal-title":"J Med Chem"},{"key":"11141_CR39","doi-asserted-by":"publisher","first-page":"726","DOI":"10.3389\/fchem.2020.00726","volume":"8","author":"F Wu","year":"2020","unstructured":"Wu F, Zhou Y, Li L, Shen X, Chen G, Wang X, Liang X, Tan M, Huang Z (2020) Computational approaches in preclinical studies on drug discovery and development. Front Chem 8:726. https:\/\/doi.org\/10.3389\/fchem.2020.00726","journal-title":"Front Chem"},{"issue":"17","key":"11141_CR40","doi-asserted-by":"publisher","first-page":"2148","DOI":"10.1016\/j.phytochem.2011.08.007","volume":"72","author":"HW Ryu","year":"2011","unstructured":"Ryu HW, Cho JK, Curtis-Long MJ, Yuk HJ, Kim YS, Jung S, Kim YS, Lee BW, Park KH (2011) \u03b1-Glucosidase inhibition and antihyperglycemic activity of prenylated xanthones from Garcinia mangostana. Phytochem 72(17):2148\u20132154. https:\/\/doi.org\/10.1016\/j.phytochem.2011.08.007","journal-title":"Phytochem"},{"issue":"5","key":"11141_CR41","doi-asserted-by":"publisher","first-page":"1457","DOI":"10.3390\/molecules27051457","volume":"27","author":"Y Zhang","year":"2022","unstructured":"Zhang Y, Pan Y, Li J, Zhang Z, He Y, Yang H, Zhou P (2022) Inhibition on \u03b1-glucosidase activity and non-enzymatic glycation by an anti-oxidative proteoglycan from Ganoderma lucidum. Molecules 27(5):1457. https:\/\/doi.org\/10.3390\/molecules27051457","journal-title":"Molecules"},{"key":"11141_CR42","doi-asserted-by":"publisher","first-page":"3","DOI":"10.1111\/j.1365-2362.1994.tb02249.x","volume":"3","author":"H Bischoff","year":"1994","unstructured":"Bischoff H (1994) Pharmacology of alpha-glucosidase inhibition. Eur J Clin Invest 3:3\u201310. https:\/\/doi.org\/10.1111\/j.1365-2362.1994.tb02249.x","journal-title":"Eur J Clin Invest"},{"key":"11141_CR43","doi-asserted-by":"publisher","DOI":"10.1155\/2024\/1322310","author":"T Limcharoen","year":"2024","unstructured":"Limcharoen T, Chaniad P, Chonsut P, Punsawad C, Juckmeta T, Konyanee A, Rais IR, Sangkaew S (2024) Alpha-glucosidase inhibition, antioxidant activities, and molecular docking study of krom luang chumphon khet udomsak, a thai traditional remedy. Adv Pharmacol Pharm Sci. https:\/\/doi.org\/10.1155\/2024\/1322310","journal-title":"Adv Pharmacol Pharm Sci"},{"issue":"3","key":"11141_CR44","doi-asserted-by":"publisher","first-page":"639","DOI":"10.3390\/molecules27030639","volume":"27","author":"O Sakulkeo","year":"2022","unstructured":"Sakulkeo O, Wattanapiromsakul C, Pitakbut T, Dej-Adisai S (2022) Alpha-glucosidase inhibition and molecular docking of isolated compounds from traditional thai medicinal plant. Neuropeltis Racemosa Wall Mol 27(3):639. https:\/\/doi.org\/10.3390\/molecules27030639","journal-title":"Neuropeltis Racemosa Wall Mol"},{"issue":"1","key":"11141_CR45","doi-asserted-by":"publisher","first-page":"4392","DOI":"10.1038\/s41598-023-31080-2","volume":"13","author":"SM Farid","year":"2023","unstructured":"Farid SM, Noori M, Montazer MN, Ghomi MK, Mollazadeh M, Dastyafteh N, Irajie C, Zomorodian K, Mirfazli SS, Mojtabavi S, Faramarzi MA, Larijani B, Iraji A, Mahdavi M (2023) Synthesis and structure\u2013activity relationship studies of benzimidazole-thioquinoline derivatives as \u03b1-glucosidase inhibitors. Sci Rep 13(1):4392. https:\/\/doi.org\/10.1038\/s41598-023-31080-2","journal-title":"Sci Rep"},{"issue":"1","key":"11141_CR46","doi-asserted-by":"publisher","first-page":"17338","DOI":"10.1038\/s41598-024-68176-2","volume":"14","author":"M Asadi","year":"2024","unstructured":"Asadi M, Ahangari MM, Iraji A, Azizian H, Nokhbehzaim A, Bahadorikhalili S, Mojtabavi S, Faramarzi MA, Esfahani EN, Larijani B, Mahdavi M, Amanlou M (2024) Synthesis, \u03b1-glucosidase inhibitory activity, and molecular dynamic simulation of 6-chloro-2-methoxyacridine linked to triazole derivatives. Sci Rep 14(1):17338. https:\/\/doi.org\/10.1038\/s41598-024-68176-2","journal-title":"Sci Rep"},{"key":"11141_CR47","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2023.135349","volume":"1284","author":"H Ghorbani","year":"2023","unstructured":"Ghorbani H, Ebadi A, Faramarzi MA, Mojtabavi S, Mahdavi M, Najafi, (2023) Synthesis, in vitro \u03b1-glucosidase inhibitory activity and molecular dynamics simulation of some new coumarin-fused 4H-pyran derivatives as potential anti-diabetic agents. J Mol Struct 1284:135349. https:\/\/doi.org\/10.1016\/j.molstruc.2023.135349","journal-title":"J Mol Struct"},{"issue":"1","key":"11141_CR48","doi-asserted-by":"publisher","first-page":"1623","DOI":"10.1080\/14756366.2019.1660653","volume":"34","author":"J Jenis","year":"2019","unstructured":"Jenis J, Baiseitova A, Yoon SH, Park C, Kim JY, Li ZP, Lee KW, Park KH (2019) Competitive \u03b1-glucosidase inhibitors, dihydrobenzoxanthones, from the barks of Artocarpus elasticus. J Enzyme Inhib Med Chem 34(1):1623\u20131632. https:\/\/doi.org\/10.1080\/14756366.2019.1660653","journal-title":"J Enzyme Inhib Med Chem"},{"issue":"4","key":"11141_CR49","doi-asserted-by":"publisher","first-page":"1689","DOI":"10.1007\/s11030-022-10522-5","volume":"27","author":"SS Mishra","year":"2022","unstructured":"Mishra SS, Kumar N, Karkara BB, Sharma CS, Kalra S (2022) Identification of potential inhibitors of Zika virus targeting NS3 helicase using molecular dynamics simulations and DFT studies. Mol Divers 27(4):1689\u20131701. https:\/\/doi.org\/10.1007\/s11030-022-10522-5","journal-title":"Mol Divers"},{"issue":"44","key":"11141_CR50","doi-asserted-by":"publisher","first-page":"24701","DOI":"10.1039\/c8ra04772c","volume":"8","author":"H Tang","year":"2018","unstructured":"Tang H, Zhao D, Xue Z (2018) Exploring the interaction between Salvia miltiorrhiza and \u03b1-glucosidase: insights from computational analysis and experimental studies. RSC Adv 8(44):24701\u201324710. https:\/\/doi.org\/10.1039\/c8ra04772c","journal-title":"RSC Adv"},{"issue":"20","key":"11141_CR51","doi-asserted-by":"publisher","first-page":"4205","DOI":"10.1111\/j.1742-4658.2010.07810.x","volume":"277","author":"K Yamamoto","year":"2010","unstructured":"Yamamoto K, Miyake H, Kusunoki M, Osaki S (2010) Crystal structures of isomaltase from Saccharomyces cerevisiae and in complex with its competitive inhibitor maltose. The FEBS J 277(20):4205\u20134214. https:\/\/doi.org\/10.1111\/j.1742-4658.2010.07810.x","journal-title":"The FEBS J"},{"issue":"1","key":"11141_CR52","doi-asserted-by":"publisher","first-page":"1877","DOI":"10.1038\/s41598-023-28828-1","volume":"13","author":"AR Pasha","year":"2023","unstructured":"Pasha AR, Khan A, Ullah S, Halim SA, Hussain J, Khalid M, Naseer MM, El-Kott AF, Negm S, Al-Harrasi A, Shafiq Z (2023) Synthesis of new diphenyl urea-clubbed imine analogs and its Implications in diabetic management through in vitro and in silico approaches. Sci Rep 13(1):1877. https:\/\/doi.org\/10.1038\/s41598-023-28828-1","journal-title":"Sci Rep"},{"issue":"1","key":"11141_CR53","doi-asserted-by":"publisher","first-page":"1111","DOI":"10.1038\/s41467-017-01263-3","volume":"8","author":"V Roig-Zamboni","year":"2017","unstructured":"Roig-Zamboni V, Cobucci-Ponzano B, Iacono R, Ferrara MC, Germany S, Bourne Y, Parenti G, Moracci M, Sulzenbacher G (2017) Structure of human lysosomal acid \u03b1-glucosidase\u2013a guide for the treatment of Pompe disease. Nat Commun 8(1):1111. https:\/\/doi.org\/10.1038\/s41467-017-01263-3","journal-title":"Nat Commun"},{"issue":"19","key":"11141_CR54","doi-asserted-by":"publisher","first-page":"9523","DOI":"10.1080\/07391102.2022.2142847","volume":"41","author":"MD Ojha","year":"2023","unstructured":"Ojha MD, Yadav A, Hariprasad P (2023) Analyzing the potential of selected plant extracts and their structurally diverse secondary metabolites for \u03b1-glucosidase inhibitory activity: in vitro and in silico approach. J Biomol Struct Dyn 41(19):9523\u20139538. https:\/\/doi.org\/10.1080\/07391102.2022.2142847","journal-title":"J Biomol Struct Dyn"},{"issue":"16","key":"11141_CR55","doi-asserted-by":"publisher","DOI":"10.1016\/j.heliyon.2024.e36408","volume":"10","author":"S Sepehri","year":"2024","unstructured":"Sepehri S, Farhadi G, Maghbul M, Nasiri F, Faramarzi MA, Mahnam K, Mojtabavi S, Mahdavi M, Oranj ZM (2024) A new route to the synthesis of 2-hydrazolyl-4-thiazolidinone hybrids, evaluation of \u03b1-glucosidase inhibitory activity and molecular modeling insights. Heliyon 10(16):e36408. https:\/\/doi.org\/10.1016\/j.heliyon.2024.e36408","journal-title":"Heliyon"},{"issue":"35","key":"11141_CR56","doi-asserted-by":"publisher","first-page":"22650","DOI":"10.1039\/d2ra04228b","volume":"12","author":"P Bhuyan","year":"2022","unstructured":"Bhuyan P, Ganguly M, Baruah I, Borgohain G, Hazarika J, Sarma S (2022) Alpha glucosidase inhibitory properties of a few bioactive compounds isolated from black rice bran: combined in vitro and in silico evidence supporting the antidiabetic effect of black rice. RSC Adv 12(35):22650\u201322661. https:\/\/doi.org\/10.1039\/d2ra04228b","journal-title":"RSC Adv"},{"key":"11141_CR57","doi-asserted-by":"publisher","DOI":"10.1016\/j.jff.2022.105362","volume":"101","author":"A Abudurexiti","year":"2023","unstructured":"Abudurexiti A, Zhang R, Zhong Y, Tan H, Yan J, Bake S, Ma, (2023) Identification of \u03b1-glucosidase inhibitors from Mulberry using UF-UPLC-QTOF-MS\/MS and molecular docking. J Funct Foods 101:105362. https:\/\/doi.org\/10.1016\/j.jff.2022.105362","journal-title":"J Funct Foods"},{"issue":"2","key":"11141_CR58","doi-asserted-by":"publisher","first-page":"255","DOI":"10.1093\/eurheartj\/ehz486","volume":"41","author":"F Cosentino","year":"2020","unstructured":"Cosentino F et al (2020) 2019 ESC Guidelines on diabetes, pre-diabetes, and cardiovascular diseases developed in collaboration with the EASD. Eur Heart J 41(2):255\u2013323. https:\/\/doi.org\/10.1093\/eurheartj\/ehz486","journal-title":"Eur Heart J"},{"issue":"5","key":"11141_CR59","doi-asserted-by":"publisher","first-page":"615","DOI":"10.1002\/jcsm.12104","volume":"7","author":"EAL Junior","year":"2016","unstructured":"Junior EAL, Yamashita AS, Pimentel GD, Sousa LGOD, Santos RVT, Goncalves CL, Streck EL, Lira FSD, Neto JCR (2016) Doxorubicin caused severe hyperglycaemia and insulin resistance, mediated by inhibition in AMPk signalling in skeletal muscle. J Cachexia Sarcopenia Muscle 7(5):615\u2013625. https:\/\/doi.org\/10.1002\/jcsm.12104","journal-title":"J Cachexia Sarcopenia Muscle"},{"issue":"7","key":"11141_CR60","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijbiomac.2023.127380","volume":"253","author":"M Sadeghi","year":"2023","unstructured":"Sadeghi M, Miroliaei M, Ghanadian M, Szumny A, Rahimmalek M (2023) Exploring the inhibitory properties of biflavonoids on \u03b1-glucosidase; computational and experimental approaches. Int J Biol Macromol 253(7):127380. https:\/\/doi.org\/10.1016\/j.ijbiomac.2023.127380","journal-title":"Int J Biol Macromol"},{"issue":"4","key":"11141_CR61","doi-asserted-by":"publisher","first-page":"337","DOI":"10.1016\/j.ddtec.2004.11.007","volume":"1","author":"CA Lipinski","year":"2004","unstructured":"Lipinski CA (2004) Lead- and drug-like compounds: the rule-of-five revolution. Drug Discov Today Technol 1(4):337\u2013341. https:\/\/doi.org\/10.1016\/j.ddtec.2004.11.007","journal-title":"Drug Discov Today Technol"},{"issue":"12","key":"11141_CR62","doi-asserted-by":"publisher","first-page":"2615","DOI":"10.1021\/jm020017n","volume":"45","author":"DF Veber","year":"2002","unstructured":"Veber DF, Johnson SR, Cheng HY, Smith BR, Ward KW, Kopple KD (2002) Molecular properties that influence the oral bioavailability of drug candidates. J Med Chem 45(12):2615\u20132623. https:\/\/doi.org\/10.1021\/jm020017n","journal-title":"J Med Chem"},{"issue":"1","key":"11141_CR63","doi-asserted-by":"publisher","first-page":"124","DOI":"10.1186\/s40538-024-00646-1","volume":"11","author":"SR El-Zemity","year":"2024","unstructured":"El-Zemity SR, Esmaiel KEE, Badawy MEI (2024) Design, synthesis, pharmacophore modeling, and molecular docking of some novel chloroacetamide derivatives as herbicidal agents. Chem Biol Technol Agric 11(1):124. https:\/\/doi.org\/10.1186\/s40538-024-00646-1","journal-title":"Chem Biol Technol Agric"},{"issue":"11","key":"11141_CR64","doi-asserted-by":"publisher","first-page":"7253","DOI":"10.1021\/acs.jmedchem.2c01824","volume":"66","author":"FMG Cornelissen","year":"2023","unstructured":"Cornelissen FMG, Markert G, Deutsch G, Antonara M, Faaij N, Bartelink I, Noske D, Vandertop WP, Bender A, Westerman BA (2023) Explaining blood-brain barrier permeability of small molecules by integrated analysis of different transport mechanisms. J Med Chem 66(11):7253\u20137267. https:\/\/doi.org\/10.1021\/acs.jmedchem.2c01824","journal-title":"J Med Chem"},{"issue":"6","key":"11141_CR65","doi-asserted-by":"publisher","first-page":"1669","DOI":"10.1152\/ajprenal.00422.2019","volume":"317","author":"SH Wright","year":"2019","unstructured":"Wright SH (2019) Molecular and cellular physiology of organic cation transporter 2. Am J Physiol Renal Physiol 317(6):1669\u20131679. https:\/\/doi.org\/10.1152\/ajprenal.00422.2019","journal-title":"Am J Physiol Renal Physiol"},{"issue":"3","key":"11141_CR66","doi-asserted-by":"publisher","first-page":"417","DOI":"10.1021\/acs.jcim.6b00465","volume":"57","author":"SJ Capuzzi","year":"2017","unstructured":"Capuzzi SJ, Muratov EN, Tropsha A (2017) Phantom PAINS: problems with the utility of alerts for pan-assay interference compounds. J Chem Inf Model 57(3):417\u2013427. https:\/\/doi.org\/10.1021\/acs.jcim.6b00465","journal-title":"J Chem Inf Model"},{"issue":"8","key":"11141_CR67","doi-asserted-by":"publisher","first-page":"899","DOI":"10.1016\/j.jmgm.2010.03.010","volume":"28","author":"S Vilar","year":"2010","unstructured":"Vilar S, Chakrabarti M, Costanzi S (2010) Prediction of passive blood\u2013brain partitioning: straightforward and effective classification models based on in silico derived physicochemical descriptors. J Mol Graph Model 28(8):899\u2013903. https:\/\/doi.org\/10.1016\/j.jmgm.2010.03.010","journal-title":"J Mol Graph Model"}],"container-title":["Molecular Diversity"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/s11030-025-11141-6.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/article\/10.1007\/s11030-025-11141-6\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/s11030-025-11141-6.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,11,21]],"date-time":"2025-11-21T12:29:53Z","timestamp":1763728193000},"score":1,"resource":{"primary":{"URL":"https:\/\/link.springer.com\/10.1007\/s11030-025-11141-6"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,2,25]]},"references-count":67,"journal-issue":{"issue":"6","published-print":{"date-parts":[[2025,12]]}},"alternative-id":["11141"],"URL":"https:\/\/doi.org\/10.1007\/s11030-025-11141-6","relation":{},"ISSN":["1381-1991","1573-501X"],"issn-type":[{"value":"1381-1991","type":"print"},{"value":"1573-501X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,2,25]]},"assertion":[{"value":"23 December 2024","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"13 February 2025","order":2,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"25 February 2025","order":3,"name":"first_online","label":"First Online","group":{"name":"ArticleHistory","label":"Article History"}},{"order":1,"name":"Ethics","group":{"name":"EthicsHeading","label":"Declarations"}},{"value":"The authors declare no competing interests.","order":2,"name":"Ethics","group":{"name":"EthicsHeading","label":"Competing interest"}},{"value":"No human or animal subjects were involved in this study, thus no ethical approval was required.","order":3,"name":"Ethics","group":{"name":"EthicsHeading","label":"Ethical approval"}}]}}