{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,12]],"date-time":"2026-01-12T21:14:55Z","timestamp":1768252495391,"version":"3.49.0"},"reference-count":31,"publisher":"Bentham Science Publishers Ltd.","issue":"2","funder":[{"DOI":"10.13039\/501100001409","name":"Alagappa University, DST-FIST","doi-asserted-by":"publisher","award":["SR\/FST\/LSI-667\/2016\u00a9"],"award-info":[{"award-number":["SR\/FST\/LSI-667\/2016\u00a9"]}],"id":[{"id":"10.13039\/501100001409","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100006593","name":"DAE-BRNS","doi-asserted-by":"publisher","award":["2009\/34\/38\/BRNS"],"award-info":[{"award-number":["2009\/34\/38\/BRNS"]}],"id":[{"id":"10.13039\/501100006593","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["eurekaselect.com"],"crossmark-restriction":true},"short-container-title":["CAD"],"published-print":{"date-parts":[[2021,4]]},"abstract":"\nObjective:<\/jats:title>\nTo screen the selected phytochemicals against diabetes by docking studies in comparison with experimental analysis.\n<\/jats:p>\n<\/jats:sec>\n\nMethods:<\/jats:title>\nEthanol crude extract was obtained from the leaves of C.intybus and its chemical compounds\nwere identified using GC- MS. Docking studies were carried out for selected phytochemicals\nto find the binding affinity and H-bond interaction using Schrodinger suite. Dynamic simulations\nwere carried out for protein-ligand complex up to 50ns using desmond OPLS AA forcefield\nand \u03b1- Amylase and \u03b1- Glucosidase assay were carried for the ethanolic extract to infer its inhibition.<\/jats:p>\n<\/jats:sec>\n\nResults:<\/jats:title>\nFour compounds were chosen for induced fit docking based on the docking score and glide\nenergy obtained from GLIDE-XP docking. The compounds were docked with the protein target\nhuman aldose reductase (PDB ID: 2FZD) for checking the anti-diabetic nature. The molecular dynamics\nsimulations were carried out for the most favorable compounds and stability was checked\nduring the simulations. The ethanol extract exhibits significant \u03b1-amylase and \u03b1-glucosidase inhibitory\nactivities with an IC50 value of 38\u03bcg and 88\u03bcg dry extract, respectively, and well compared\nwith standard acarbose drug. The antimicrobial activity was also carried out for various extracts\n(Chloroform, Ethyl acetate, and Ethanol) of the same (C. intybus) screened against four selected\nhuman pathogens. Compared to other solvent extracts, ethanol and chloroform extracts show better\ninhibition and their minimal inhibitory concentration (MIC) value has been calculated.<\/jats:p>\n<\/jats:sec>\n\nConclusion:<\/jats:title>\n In-silico studies and in-vitro studies reveals that C.intybus plant compounds have more potent for treating diabetes\n<\/jats:p>\n<\/jats:sec>","DOI":"10.2174\/1573409916666200129100930","type":"journal-article","created":{"date-parts":[[2020,1,29]],"date-time":"2020-01-29T13:58:01Z","timestamp":1580306281000},"page":"173-186","update-policy":"https:\/\/doi.org\/10.2174\/bsp_crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["In vitro and In silico Analysis of the Anti-diabetic and Anti-microbial Activity of Cichorium intybus Leaf extracts"],"prefix":"10.2174","volume":"17","author":[{"given":"Suganya","family":"Ramakrishnamurthy","sequence":"first","affiliation":[{"name":"Department of Medical Physics, Anna University, Chennai-600025, Tamil Nadu,India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ganesan","family":"Singaravelu","sequence":"additional","affiliation":[{"name":"Department of Medical Physics, Anna University, Chennai-600025, Tamil Nadu,India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Velmurugan","family":"Devadasan","sequence":"additional","affiliation":[{"name":"CAS in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai- 600025,India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4261-8741","authenticated-orcid":true,"given":"Aruna","family":"Prakasarao","sequence":"additional","affiliation":[{"name":"Department of Medical Physics, Anna University, Chennai-600025, Tamil Nadu,India"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"965","reference":[{"key":"ref=1","first-page":"1","author":"Street R.A.","year":"2013","unstructured":"Street R.A.; Sidana J.; Prinsloo G.; Cichoriumintybus: traditional uses, phytochemistry, pharmacology, and toxicology. J Evid Based Complementary Altern Med 2013,1-13","journal-title":"J Evid Based Complementary Altern Med"},{"key":"ref=2","first-page":"41","volume":"6","author":"Al-Snafi A.E.","year":"2016","unstructured":"Al-Snafi A.E.; Medical importance of Cichorium intybus a review. IOSR J Pharm 2016,6(3),41-56","journal-title":"IOSR J Pharm"},{"key":"ref=3","first-page":"11","volume":"6","author":"Saxena R.A.","year":"2014","unstructured":"Saxena R.A.; Sulakhiya K.B.; Rathore M.A.; Cichoriumintibus Linn: a review of pharmacological profile. Int J Curr Pharm Res 2014,6(4),11-15","journal-title":"Int J Curr Pharm Res"},{"key":"ref=4","first-page":"715","volume":"10","author":"Malik B.","year":"2016","unstructured":"Malik B.; Pirzadah T.B.; Tahir I.; Abdin M.Z.; Rehman R.U.; Phytochemical studies on Cichoriumintybus L.(chicory) from Kashmir Himalaya using GC-MS. J Pharm Res 2016,10(11),715-726","journal-title":"J Pharm Res"},{"key":"ref=5","first-page":"41","volume":"1","author":"Edwin E.","year":"2006","unstructured":"Edwin E.; Sheeja E.; Gupta V.B.; Jain D.C.; Fight Diabetes the herbal way. Express Pharma Rev 2006,1,41-42","journal-title":"Express Pharma Rev"},{"key":"ref=6","first-page":"283","volume":"53","author":"Mohan D.","year":"2005","unstructured":"Mohan D.; Raj D.; Shanthirani C.S.; Datta M.; Unwin N.C.; Kapur A.; Mohan V.; Awareness and knowledge of diabetes in Chennai-the Chennai urban rural epidemiology study. J Assoc Physicians India 2005,53,283-287","journal-title":"J Assoc Physicians India"},{"key":"ref=7","first-page":"555X","volume":"23","author":"Zaman R.","year":"2013","unstructured":"Zaman R.; Basar S.N.; A review article of BeekheKasni (Cichoriumintybus) its traditional uses and pharmacological actions. Res J Pharmaceutical Sc 2013,23(19),555X","journal-title":"Res J Pharmaceutical Sc"},{"key":"ref=8","first-page":"231","volume":"13","author":"Samarghandian S.","year":"2013","unstructured":"Samarghandian S.; Borji A.; Effects of Cichoriumintybuslinn on blood glucose, lipid constituents and selected oxidative stress parameters in streptozotocin-induced diabetic rats. Cardiovascular 2013,13(3),231-236","journal-title":"Cardiovascular"},{"key":"ref=9","first-page":"276","volume":"4","author":"Abdel-Rahim E.A.","year":"2016","unstructured":"Abdel-Rahim E.A.; Rashed M.M.; El-Hawary Z.M.; Abdelkader M.M.; Kassem S.S.; Mohamed R.S.; Antidiabetic effect of Cichoriumintybus leaves and Plantago ovate seeds in high fat diet streptozotocin-induced diabetic rats. J Food Nutr Res 2016,4(5),276-281","journal-title":"J Food Nutr Res"},{"key":"ref=10","year":"2016","unstructured":"Global report on diabetes, world health organization, (WHO 2016). 2016"},{"key":"ref=11","doi-asserted-by":"publisher","first-page":"313","DOI":"10.1016\/j.phrs.2005.05.004","volume":"52","author":"Srinivasan K.","year":"2005","unstructured":"Srinivasan K.; Viswanad B.; Asrat L.; Kaul C.L.; Ramarao P.; Combination of high-fat diet-fed and low-dose streptozotocin-treated rat: a model for type 2 diabetes and pharmacological screening. Pharmacol Res 2005,52(4),313-320","journal-title":"Pharmacol Res"},{"key":"ref=12","first-page":"131","volume":"5","author":"Sharma M.C.","year":"2010","unstructured":"Sharma M.C.; Sharma S.; Kohli D.V.; In vitro studies of the use of some medicinal herbals leaves against antidepressant, analgesic activity, and anti-inflammatory activity. Dig J Nanomater Biostruct 2010,5,131-134","journal-title":"Dig J Nanomater Biostruct"},{"key":"ref=13","first-page":"575","volume":"3","author":"Mondal P.","year":"2013","unstructured":"Mondal P.; Bhuyan N.; Das S.; Kumar M.; Borah S.; Mahato K.; Herbal medicines useful for the treatment of diabetes in north-east india: a review. Int J Pharma Bio Sci 2013,3(1),575-589","journal-title":"Int J Pharma Bio Sci"},{"key":"ref=14","doi-asserted-by":"publisher","first-page":"1832","DOI":"10.19082\/1832","volume":"8","author":"Kooti W.","year":"2016","unstructured":"Kooti W.; Farokhipour M.; Asadzadeh Z.; Ashtary-Larky D.; Asadi-Samani M.; The role of medicinal plants in the treatment of diabetes: a systematic review. Electron Physician 2016,8(1),1832-1842","journal-title":"Electron Physician"},{"key":"ref=15","first-page":"163","volume":"40","author":"Modak M.","year":"2007","unstructured":"Modak M.; Dixit P.; Londhe J.; Ghaskadbi S.; Devasagayam T.P.A.; Recent advances in Indian herbal drug research guest editor: Thomas Paul Asir Devasagayam Indian herbs and herbal drugs used for the treatment of diabetes. J ClinBiochem Nutr 2007,40(3),163-173","journal-title":"J ClinBiochem Nutr"},{"key":"ref=16","doi-asserted-by":"publisher","first-page":"21","DOI":"10.2174\/1568026615666150112104344","volume":"15","author":"Suhitha S.","year":"2015","unstructured":"Suhitha S.; Devi S.K.; Gunasekaran K.; Pakyntein H.C.; Bhattacharjee A.; Velmurugan D.; Phytochemical analyses and activity of herbal medicinal plants of North- East India for anti-diabetic, anti-cancer and anti-tuberculosis and their docking studies. Curr Top Med Chem 2015,15(1),21-36","journal-title":"Curr Top Med Chem"},{"key":"ref=17","doi-asserted-by":"publisher","first-page":"10","DOI":"10.1016\/j.cdc.2018.03.003","volume":"15","author":"Rajkumar P.","year":"2018","unstructured":"Rajkumar P.; Selvaraj S.; Suganya R.; Velmurugan D.; Gunasekaran S.; Kumaresan S.; Vibrationaland electronic spectral analysis of thymol an isomer of carvacrol isolated from Trachyspermum ammi seed: acombinedexperimentaland theoretical study. Chemical Data Collections 2018,15,10-31","journal-title":"Chemical Data Collections"},{"key":"ref=18","doi-asserted-by":"publisher","first-page":"1","DOI":"10.15761\/CPB.1000117","volume":"1","author":"Subasri S.","year":"2016","unstructured":"Subasri S.; Viswanathan V.; Kesharwani M.; Velmurugan D.; Phytochemical analysis, molecular docking and molecular dynamics simulations of selected phytoconstituents from four herbs as anti-dotes for snake bites. ClinProteomBioinform 2016,1,1-13","journal-title":"ClinProteomBioinform"},{"key":"ref=19","year":"2015","unstructured":"Schrodinger. Small molecule Drug-Discovery Suite 2014-3: Scrodinger Suite 2015-3 Protein preparation wizard;Epik version 29: Schrodinger Suite 2015-3 Induce Fit Docking protocol Schrodinger, LLC, New York, NY 2015","journal-title":"Small molecule Drug-Discovery Suite 2014-3: Scrodinger Suite 2015-3 Protein preparation wizard;Epik version 29: Schrodinger Suite 2015-3 Induce Fit Docking protocol Schrodinger, LLC, New York, NY"},{"key":"ref=20","doi-asserted-by":"publisher","first-page":"174","DOI":"10.2174\/1574885513666180402134054","volume":"13","author":"Arokia Vijaya A.M.","year":"2018","unstructured":"Arokia Vijaya A.M.; Anantha Krishnan D.; Hemalatha M.; Gunasekaran K.; Ernest D.; In Silico studies towards enhancing the anticancer activity of phytochemical phloretin against cancer drug targets. Curr Drug Ther 2018,13,174-188","journal-title":"Curr Drug Ther"},{"key":"ref=21","doi-asserted-by":"publisher","first-page":"174","DOI":"10.1016\/j.jmb.2006.08.011","volume":"363","author":"Steuber H.","year":"2006","unstructured":"Steuber H.; Zentgraf M.; Gerlach C.; Sotriffer C.A.; Heine A.; Klebe G.; Expect the unexpected or caveat for drug designers: multiple structure determinations using aldose reductase crystals treated under varying soaking and co-crystallisation conditions. J Mol Biol 2006,363(1),174-187","journal-title":"J Mol Biol"},{"key":"ref=22","first-page":"268","volume":"4","author":"Reddy G.D.","year":"2012","unstructured":"Reddy G.D.; Kumar K.N.V.P.; Duganath N.; Divya R.; Amitha K.; ADMET, Docking studies","journal-title":"J drug Dev"},{"key":"ref=23","doi-asserted-by":"publisher","first-page":"225","DOI":"10.1080\/10799893.2018.1476542","volume":"38","author":"Vijaya Prabhu S.","year":"2018","unstructured":"Vijaya Prabhu S.; Singh S.K.; Atom-based 3D-QSAR, induced fit docking, and molecular dynamics simulations study of thieno[2,3-b]pyridines negative allosteric modulators of mGluR5. J Recept Signal Transduct Res 2018,38(3),225-239","journal-title":"J Recept Signal Transduct Res"},{"key":"ref=24","doi-asserted-by":"publisher","first-page":"2071","DOI":"10.1038\/s41598-018-20311-6","volume":"8","author":"Rajavel T.","year":"2018","unstructured":"Rajavel T.; Packiyaraj P.; Suryanarayanan V.; Singh S.K.; Ruckmani K.; Pandima Devi K.; β-Sitosterol targets Trx\/Trx1 reductase to induce apoptosis in A549 cells via ROS mediated mitochondrial dysregulation and p53 activation. Sci Rep 2018,8(1),2071","journal-title":"Sci Rep"},{"key":"ref=25","doi-asserted-by":"publisher","first-page":"669","DOI":"10.1021\/acs.molpharmaceut.8b00948","volume":"16","author":"Karthikeyan S.","year":"2019","unstructured":"Karthikeyan S.; Bharanidharan G.; Ragavan S.; Kandasamy S.; Chinnathambi S.; Udayakumar K.; Mangaiyarkarasi R.; Suganya R.; Aruna P.; Ganesan S.; Exploring the Binding interaction mechanism of taxol in β-Tubulin and bovine serum albumin: a biophysical approach. Mol Pharm 2019,16(2),669-681","journal-title":"Mol Pharm"},{"key":"ref=26","first-page":"234","volume":"3","author":"Debiyi O.O.","year":"1978","unstructured":"Debiyi O.O.; Sofowora F.A.; Pytochemical screening of medical plants. Iloyidia 1978,3,234-246","journal-title":"Iloyidia"},{"key":"ref=27","doi-asserted-by":"publisher","first-page":"1647","DOI":"10.1016\/j.foodchem.2010.08.020","volume":"124","author":"Kim J.S.","year":"2011","unstructured":"Kim J.S.; Hyun T.K.; Kim M.J.; The inhibitory effects of ethanol extracts from sorghum, foxtail millet and proso millet on α-glucosidase and α-amylase activities. Food Chem 2011,124(4),1647-1651","journal-title":"Food Chem"},{"key":"ref=28","doi-asserted-by":"crossref","DOI":"10.1155\/2013\/527570","volume":"2013","author":"Kazeem M.I.","year":"2013","unstructured":"Kazeem M.I.; Adamson J.O.; Ogunwande I.A.; Modes of inhibition of α-amylase and α-glucosidase by aqueous extract of MorindalucidaBenth leaf. Biomed Res Int 2013,2013","journal-title":"Biomed Res Int"},{"key":"ref=29","first-page":"414","volume":"6","author":"Suhashini R.","year":"2014","unstructured":"Suhashini R.; Sindhu S.; Sagadevan E.; Invitro Evaluation of Antidiabetic Potential and Phytochemical Profile of Psoralea corylifolia Seeds. Int J Pharma Phyto Res 2014,6(2),414-419","journal-title":"Int J Pharma Phyto Res"},{"key":"ref=30","doi-asserted-by":"publisher","first-page":"943","DOI":"10.1016\/S2222-1808(14)60763-5","volume":"4","author":"Rehman A.","year":"2014","unstructured":"Rehman A.; Ullah N.; Ullah H.; Ahmad I.; Antibacterial and antifungal study of Cichoriumintybus. Asian Pac J Trop Dis 2014,4,943-S945","journal-title":"Asian Pac J Trop Dis"},{"key":"ref=31","doi-asserted-by":"publisher","first-page":"S1569","DOI":"10.1016\/j.arabjc.2012.04.012","volume":"9","author":"Rub R.A.","year":"2016","unstructured":"Rub R.A.; Sasikumar S.; Antimicrobial screening of Cichoriumintybus seed extracts. Arab J Chem 2016,9,S1569-S1573","journal-title":"Arab J Chem"}],"container-title":["Current Computer-Aided Drug Design"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.eurekaselect.com\/article\/download\/178773","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/www.eurekaselect.com\/178773\/article","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/www.eurekaselect.com\/article\/download\/178773","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2022,3,15]],"date-time":"2022-03-15T15:53:03Z","timestamp":1647359583000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.eurekaselect.com\/178773\/article"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2021,4]]},"references-count":31,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2021,4]]}},"alternative-id":["LiveAll1"],"URL":"https:\/\/doi.org\/10.2174\/1573409916666200129100930","relation":{},"ISSN":["1573-4099"],"issn-type":[{"value":"1573-4099","type":"print"}],"subject":[],"published":{"date-parts":[[2021,4]]},"assertion":[{"value":"Peer Reviewed","order":0,"name":"review_status","label":"Review Status","group":{"name":"peer_review_details","label":"Peer Review Details"}},{"value":"Single blind","order":1,"name":"review_process","label":"Review Process","group":{"name":"peer_review_details","label":"Peer Review Details"}},{"value":"Checked with iThenticate","order":0,"name":"screening_status","label":"Screening Status","group":{"name":"plagiarism_screening","label":"Plagiarism Screening"}},{"value":"2019-09-18","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2019-12-04","order":1,"name":"revised","label":"Revised","group":{"name":"publication_history","label":"Publication History"}},{"value":"2020-01-13","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2021-05-18","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}