{"id":"https://openalex.org/W2167680596","doi":"https://doi.org/10.6026/97320630010209","title":"Molecular modeling of Ruellia tuberosa L compounds as a-amylase inhibitor: an in silico comparation between human and rat enzyme model","display_name":"Molecular modeling of Ruellia tuberosa L compounds as a-amylase inhibitor: an in silico comparation between human and rat enzyme model","publication_year":2014,"publication_date":"2014-04-23","ids":{"openalex":"https://openalex.org/W2167680596","doi":"https://doi.org/10.6026/97320630010209","mag":"2167680596","pmid":"https://pubmed.ncbi.nlm.nih.gov/24966522","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/4070051"},"language":"en","primary_location":{"id":"doi:10.6026/97320630010209","doi":"https://doi.org/10.6026/97320630010209","is_oa":true,"landing_page_url":"https://doi.org/10.6026/97320630010209","pdf_url":"http://www.bioinformation.net/010/97320630010209.pdf","source":{"id":"https://openalex.org/S2755911950","display_name":"Bioinformation","issn_l":"0973-2063","issn":["0973-2063","0973-8894"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","ki-jl-1","norway-1","poland-20","russia-white-list-2"],"host_organization":"https://openalex.org/P4328143488","host_organization_name":"Biomedical Informatics","host_organization_lineage":["https://openalex.org/P4328143488"],"host_organization_lineage_names":["Biomedical Informatics"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformation","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"http://www.bioinformation.net/010/97320630010209.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5079334578","display_name":"Dyah Ratna Wulan","orcid":"https://orcid.org/0000-0002-7857-1802","observed_orcids":["https://orcid.org/0000-0002-7857-1802"]},"institutions":[{"id":"https://openalex.org/I177055848","display_name":"University of Brawijaya","ror":"https://ror.org/01wk3d929","country_code":"ID","type":"education","lineage":["https://openalex.org/I177055848"]}],"countries":["ID"],"is_corresponding":false,"raw_author_name":"Dyah Ratna Wulan","raw_affiliation_strings":["Master Program of Chemistry, Faculty of Science, Brawijaya University ; Academy of Food and Pharmacy Analyst, Putra Indonesia Malang"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Master Program of Chemistry, Faculty of Science, Brawijaya University ; Academy of Food and Pharmacy Analyst, Putra Indonesia Malang","institution_ids":["https://openalex.org/I177055848"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5080030732","display_name":"Edi Priyo Utomo","orcid":"https://orcid.org/0000-0003-3735-9722","observed_orcids":["https://orcid.org/0000-0003-3735-9722"]},"institutions":[{"id":"https://openalex.org/I177055848","display_name":"University of Brawijaya","ror":"https://ror.org/01wk3d929","country_code":"ID","type":"education","lineage":["https://openalex.org/I177055848"]}],"countries":["ID"],"is_corresponding":true,"raw_author_name":"Edi Priyo Utomo","raw_affiliation_strings":["Chemistry Department, Faculty of Science, Brawijaya University, Malang, Indonesia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemistry Department, Faculty of Science, Brawijaya University, Malang, Indonesia","institution_ids":["https://openalex.org/I177055848"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5071156500","display_name":"Chanif Mahdi","orcid":"https://orcid.org/0000-0003-0752-6876","observed_orcids":["https://orcid.org/0000-0003-0752-6876"]},"institutions":[{"id":"https://openalex.org/I177055848","display_name":"University of Brawijaya","ror":"https://ror.org/01wk3d929","country_code":"ID","type":"education","lineage":["https://openalex.org/I177055848"]}],"countries":["ID"],"is_corresponding":false,"raw_author_name":"Chanif Mahdi","raw_affiliation_strings":["Chemistry Department, Faculty of Science, Brawijaya University, Malang, Indonesia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemistry Department, Faculty of Science, Brawijaya University, Malang, Indonesia","institution_ids":["https://openalex.org/I177055848"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5080030732"],"corresponding_institution_ids":["https://openalex.org/I177055848"],"apc_list":null,"apc_paid":null,"fwci":1.0731,"has_fulltext":true,"cited_by_count":13,"citation_normalized_percentile":{"value":0.80313296,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":96},"biblio":{"volume":"10","issue":"4","first_page":"209","last_page":"215"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11140","display_name":"Natural Antidiabetic Agents Studies","score":0.9398999810218811,"subfield":{"id":"https://openalex.org/subfields/2712","display_name":"Endocrinology, Diabetes and Metabolism"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T11140","display_name":"Natural Antidiabetic Agents Studies","score":0.9398999810218811,"subfield":{"id":"https://openalex.org/subfields/2712","display_name":"Endocrinology, Diabetes and Metabolism"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.05260000005364418,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12257","display_name":"Bioactive natural compounds","score":0.0013000000035390258,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/ruellia-tuberosa","display_name":"Ruellia tuberosa","score":1.0},{"id":"https://openalex.org/keywords/alpha-amylase-inhibitors","display_name":"alpha-amylase inhibitors","score":0.8690000176429749},{"id":"https://openalex.org/keywords/betulin","display_name":"betulin","score":0.8579999804496765},{"id":"https://openalex.org/keywords/betulinic-acid","display_name":"betulinic acid","score":0.9779999852180481},{"id":"https://openalex.org/keywords/acarbose","display_name":"acarbose","score":0.9350000023841858},{"id":"https://openalex.org/keywords/postprandial-hyperglycemia","display_name":"postprandial hyperglycemia","score":0.878000020980835},{"id":"https://openalex.org/keywords/antidiabetic-compounds","display_name":"antidiabetic compounds","score":0.7170000076293945},{"id":"https://openalex.org/keywords/human-pancreatic-alpha-amylase","display_name":"human pancreatic alpha-amylase","score":0.9990000128746033},{"id":"https://openalex.org/keywords/binding-energy","display_name":"binding energy","score":0.5350000262260437},{"id":"https://openalex.org/keywords/inhibition-constant","display_name":"inhibition constant","score":0.7160000205039978},{"id":"https://openalex.org/keywords/non-competitive-inhibition","display_name":"non-competitive inhibition","score":0.8759999871253967},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.656000018119812}],"concepts":[{"id":"https://openalex.org/C2778509883","wikidata":"https://www.wikidata.org/wiki/Q419726","display_name":"Betulin","level":2,"score":0.8803845643997192},{"id":"https://openalex.org/C2776617576","wikidata":"https://www.wikidata.org/wiki/Q338005","display_name":"Acarbose","level":3,"score":0.840499997138977},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.7922728061676025},{"id":"https://openalex.org/C158180186","wikidata":"https://www.wikidata.org/wiki/Q278487","display_name":"PubChem","level":2,"score":0.7494140267372131},{"id":"https://openalex.org/C2777829905","wikidata":"https://www.wikidata.org/wiki/Q384111","display_name":"Betulinic acid","level":2,"score":0.7264640927314758},{"id":"https://openalex.org/C170835558","wikidata":"https://www.wikidata.org/wiki/Q17153","display_name":"Amylase","level":3,"score":0.6640996336936951},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.5830723643302917},{"id":"https://openalex.org/C173959671","wikidata":"https://www.wikidata.org/wiki/Q106951023","display_name":"Alpha-amylase","level":4,"score":0.5568001866340637},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.5440281629562378},{"id":"https://openalex.org/C2779782153","wikidata":"https://www.wikidata.org/wiki/Q409366","display_name":"Lupeol","level":2,"score":0.5051069855690002},{"id":"https://openalex.org/C2780152424","wikidata":"https://www.wikidata.org/wiki/Q4826062","display_name":"AutoDock","level":4,"score":0.480409175157547},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.44595929980278015},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4154948890209198},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.2889624238014221},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.17179834842681885},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.0},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.6026/97320630010209","doi":"https://doi.org/10.6026/97320630010209","is_oa":true,"landing_page_url":"https://doi.org/10.6026/97320630010209","pdf_url":"http://www.bioinformation.net/010/97320630010209.pdf","source":{"id":"https://openalex.org/S2755911950","display_name":"Bioinformation","issn_l":"0973-2063","issn":["0973-2063","0973-8894"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","ki-jl-1","norway-1","poland-20","russia-white-list-2"],"host_organization":"https://openalex.org/P4328143488","host_organization_name":"Biomedical Informatics","host_organization_lineage":["https://openalex.org/P4328143488"],"host_organization_lineage_names":["Biomedical Informatics"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformation","raw_type":"journal-article"},{"id":"pmh:oai:pubmedcentral.nih.gov:4070051","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/4070051","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformation","raw_type":"Text"},{"id":"pmid:24966522","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/24966522","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformation","raw_type":"Journal Article"}],"best_oa_location":{"id":"doi:10.6026/97320630010209","doi":"https://doi.org/10.6026/97320630010209","is_oa":true,"landing_page_url":"https://doi.org/10.6026/97320630010209","pdf_url":"http://www.bioinformation.net/010/97320630010209.pdf","source":{"id":"https://openalex.org/S2755911950","display_name":"Bioinformation","issn_l":"0973-2063","issn":["0973-2063","0973-8894"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","ki-jl-1","norway-1","poland-20","russia-white-list-2"],"host_organization":"https://openalex.org/P4328143488","host_organization_name":"Biomedical Informatics","host_organization_lineage":["https://openalex.org/P4328143488"],"host_organization_lineage_names":["Biomedical Informatics"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformation","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.504800021648407,"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3"}],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2167680596.pdf","grobid_xml":"https://content.openalex.org/works/W2167680596.grobid-xml"},"referenced_works_count":9,"referenced_works":["https://openalex.org/W1992710547","https://openalex.org/W2079159737","https://openalex.org/W2120230374","https://openalex.org/W2137344325","https://openalex.org/W2152301430","https://openalex.org/W2156328030","https://openalex.org/W2159614853","https://openalex.org/W2165897637","https://openalex.org/W2342179193"],"related_works":["https://openalex.org/W2180293852","https://openalex.org/W4408394038","https://openalex.org/W2137742699","https://openalex.org/W3165066950","https://openalex.org/W6990071758","https://openalex.org/W1539337962","https://openalex.org/W2181847804","https://openalex.org/W4391760117","https://openalex.org/W4383186962","https://openalex.org/W4386182579"],"abstract_inverted_index":{"Inhibition":[0],"of":[1,66,117],"\u03b1-amylase":[2,32,69],"is":[3,22,112,159],"an":[4],"important":[5],"strategy":[6],"to":[7,28,68,74,84],"control":[8],"post-prandial":[9],"hyperglycemia.":[10],"The":[11,50,106],"present":[12],"study":[13,27],"on":[14],"Ruellia":[15],"tuberosa,":[16],"known":[17],"as":[18,162],"traditional":[19],"anti-diabetic":[20],"agent,":[21],"being":[23],"provided":[24],"in":[25,33,77,86,100,104,172],"silico":[26],"identify":[29],"compounds":[30,67],"inhibiting":[31],"rat":[34,78,101,120],"and":[35,55,82,91,102,124],"human.":[36,105],"Compounds":[37],"were":[38,52],"explored":[39],"from":[40],"PubChem":[41],"database.":[42],"Molecular":[43],"docking":[44,107],"was":[45,70,95],"studied":[46],"using":[47,57],"the":[48,58,113],"autodock4.":[49],"interactions":[51],"further":[53],"visualized":[54],"analyzed":[56],"Accelrys":[59],"Discovery":[60],"Studio":[61],"version":[62],"3.5.":[63],"Binding":[64],"energy":[65],"varying":[71,96],"between":[72,97],"-1.92":[73],"-6.66":[75],"kcal/mol":[76],"pancreatic":[79,88],"alpha":[80,89,122,126],"amylase":[81,123],"-3.06":[83],"-8.42kcal/mol":[85],"human":[87,125],"amylase,":[90],"inhibition":[92],"konstanta":[93],"(ki)":[94],"13.12-":[98],"39460\u00b5M":[99],"0.67-5600\u00b5M":[103],"results":[108],"verify":[109],"that":[110,131,157],"betulin":[111,132,146,158],"most":[114],"potential":[115,136,161],"inhibitor":[116,137,163],"all":[118],"towards":[119],"model":[121],"amylase.":[127],"Further":[128],"analysis":[129],"reveals":[130],"could":[133],"be":[134,170],"a":[135],"with":[138],"non-competitive":[139],"pattern":[140],"like":[141],"betulinic":[142],"acid.":[143],"In":[144],"comparison,":[145],"has":[147],"smaller":[148],"Ki":[149],"(0.67\u00b5M)":[150],"than":[151,164],"acarbose":[152],"(2.6":[153],"\u00b5M),":[154],"which":[155],"suggesting":[156],"more":[160],"acarbose,":[165],"but":[166],"this":[167],"assumption":[168],"must":[169],"verified":[171],"vitro.":[173]},"counts_by_year":[{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":1}],"updated_date":"2026-10-28T10:33:24.094632","created_date":"2016-06-24T00:00:00"}