{"id":"https://openalex.org/W7204445489","doi":"https://doi.org/10.5281/zenodo.22127901","title":"Nusantara-Ligand-DB: Comprehensive 3D Database of Indonesian Natural Products","display_name":"Nusantara-Ligand-DB: Comprehensive 3D Database of Indonesian Natural Products","publication_year":2026,"publication_date":"2026-08-27","ids":{"openalex":"https://openalex.org/W7204445489","doi":"https://doi.org/10.5281/zenodo.22127901"},"language":"en","primary_location":{"id":"doi:10.5281/zenodo.22127901","doi":"https://doi.org/10.5281/zenodo.22127901","is_oa":true,"landing_page_url":"https://doi.org/10.5281/zenodo.22127901","pdf_url":null,"source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Dataset"},"volume":null,"type":"dataset","is_traditional":false,"indexed_in":["datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://doi.org/10.5281/zenodo.22127901","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5037979458","display_name":"Gerry Nugraha","orcid":"https://orcid.org/0000-0001-7879-5630","observed_orcids":["https://orcid.org/0000-0001-7879-5630"]},"institutions":[{"id":"https://openalex.org/I4405269025","display_name":"Universitas Aisyiyah Palembang","ror":"https://ror.org/02vcgcg69","country_code":"ID","type":"education","lineage":["https://openalex.org/I4405269025"]}],"countries":["ID"],"is_corresponding":true,"raw_author_name":"Nugraha, Gerry","raw_affiliation_strings":["Universitas Aisyiyah Palembang"],"raw_orcid":"https://orcid.org/0000-0001-7879-5630","affiliations":[{"raw_affiliation_string":"Universitas Aisyiyah Palembang","institution_ids":["https://openalex.org/I4405269025"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5037979458"],"corresponding_institution_ids":["https://openalex.org/I4405269025"],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9951000213623047,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9951000213623047,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T12257","display_name":"Bioactive natural compounds","score":0.0012000000569969416,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10431","display_name":"Ethnobotanical and Medicinal Plants Studies","score":0.00019999999494757503,"subfield":{"id":"https://openalex.org/subfields/1110","display_name":"Plant Science"},"field":{"id":"https://openalex.org/fields/11","display_name":"Agricultural and Biological Sciences"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/secondary-metabolites","display_name":"secondary metabolites","score":0.8629999756813049},{"id":"https://openalex.org/keywords/admet-prediction","display_name":"ADMET prediction","score":0.6449999809265137},{"id":"https://openalex.org/keywords/ames-mutagenicity","display_name":"Ames mutagenicity","score":0.9890000224113464},{"id":"https://openalex.org/keywords/cytochrome-p450-inhibition","display_name":"cytochrome P450 inhibition","score":0.9440000057220459},{"id":"https://openalex.org/keywords/structure-based-virtual-screening","display_name":"structure-based virtual screening","score":0.9120000004768372},{"id":"https://openalex.org/keywords/computer-aided-drug-design","display_name":"computer-aided drug design","score":0.9369999766349792},{"id":"https://openalex.org/keywords/indigenous-plant-species","display_name":"indigenous plant species","score":0.7590000033378601},{"id":"https://openalex.org/keywords/east-indies","display_name":"East Indies","score":0.7329999804496765}],"concepts":[{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.656499981880188},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5299000144004822},{"id":"https://openalex.org/C2780560020","wikidata":"https://www.wikidata.org/wiki/Q79719","display_name":"License","level":2,"score":0.47049999237060547},{"id":"https://openalex.org/C2779207338","wikidata":"https://www.wikidata.org/wiki/Q9240","display_name":"Indonesian","level":2,"score":0.4528000056743622},{"id":"https://openalex.org/C34974158","wikidata":"https://www.wikidata.org/wiki/Q131257","display_name":"Intellectual property","level":2,"score":0.39959999918937683},{"id":"https://openalex.org/C68762167","wikidata":"https://www.wikidata.org/wiki/Q910164","display_name":"Cheminformatics","level":2,"score":0.3871000111103058},{"id":"https://openalex.org/C56666940","wikidata":"https://www.wikidata.org/wiki/Q788790","display_name":"Documentation","level":2,"score":0.37049999833106995},{"id":"https://openalex.org/C2779089604","wikidata":"https://www.wikidata.org/wiki/Q7169333","display_name":"Permission","level":2,"score":0.35589998960494995},{"id":"https://openalex.org/C26517878","wikidata":"https://www.wikidata.org/wiki/Q228039","display_name":"Key (lock)","level":2,"score":0.3515999913215637},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.32190001010894775},{"id":"https://openalex.org/C29985473","wikidata":"https://www.wikidata.org/wiki/Q188460","display_name":"Natural resource","level":2,"score":0.2987000048160553},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.29100000858306885},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.2858000099658966},{"id":"https://openalex.org/C23123220","wikidata":"https://www.wikidata.org/wiki/Q816826","display_name":"Information retrieval","level":1,"score":0.2856999933719635},{"id":"https://openalex.org/C514011633","wikidata":"https://www.wikidata.org/wiki/Q1428168","display_name":"Traditional knowledge","level":3,"score":0.27730000019073486},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.2766999900341034},{"id":"https://openalex.org/C20136886","wikidata":"https://www.wikidata.org/wiki/Q749647","display_name":"Interoperability","level":2,"score":0.2750000059604645},{"id":"https://openalex.org/C2776608160","wikidata":"https://www.wikidata.org/wiki/Q4785462","display_name":"Natural (archaeology)","level":2,"score":0.27489998936653137},{"id":"https://openalex.org/C110875604","wikidata":"https://www.wikidata.org/wiki/Q75","display_name":"The Internet","level":2,"score":0.25270000100135803}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.5281/zenodo.22127901","doi":"https://doi.org/10.5281/zenodo.22127901","is_oa":true,"landing_page_url":"https://doi.org/10.5281/zenodo.22127901","pdf_url":null,"source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Dataset"},{"id":"doi:10.5281/zenodo.22127902","doi":"https://doi.org/10.5281/zenodo.22127902","is_oa":true,"landing_page_url":"https://doi.org/10.5281/zenodo.22127902","pdf_url":null,"source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Dataset"}],"best_oa_location":{"id":"doi:10.5281/zenodo.22127901","doi":"https://doi.org/10.5281/zenodo.22127901","is_oa":true,"landing_page_url":"https://doi.org/10.5281/zenodo.22127901","pdf_url":null,"source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Dataset"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W7204194787","https://openalex.org/W7146239549","https://openalex.org/W7144550725","https://openalex.org/W7204191011","https://openalex.org/W2054759514","https://openalex.org/W7136143901","https://openalex.org/W7099259866","https://openalex.org/W6908419059","https://openalex.org/W7146559904","https://openalex.org/W2479262781"],"abstract_inverted_index":{"Nusantara-Ligand-DB:":[0],"Comprehensive":[1,179],"3D":[2,143,146,164,174,182],"Database":[3,183],"of":[4,20,91,184,187],"Indonesian":[5,188,210],"Natural":[6],"Products":[7],"\ud83c\uddee\ud83c\udde9":[8],"Intellectual":[9],"Property":[10],"Rights":[11],"(HAKI)":[12],"Registration:":[13],"EC002026156809DOI:":[14],"10.5281/zenodo.22127902":[15],"\u2696\ufe0f":[16],"License":[17],"&":[18],"Terms":[19],"Use":[21],"This":[22,80,199],"database":[23,74,86,99,220],"is":[24,52,202],"strictly":[25],"licensed":[26],"under":[27],"the":[28,77,88,226],"Creative":[29],"Commons":[30],"Attribution-NonCommercial":[31],"4.0":[32],"International":[33],"(CC":[34],"BY-NC":[35],"4.0).":[36],"Academic/Research":[37],"Use:":[38,55],"Free":[39],"to":[40,71,96,208],"download,":[41],"share,":[42],"and":[43,62,113,127,137,154,193,197,229],"adapt":[44],"for":[45,148],"non-commercial":[46],"scientific":[47],"research,":[48,223],"provided":[49,203],"appropriate":[50],"credit":[51],"given.":[53],"Commercial":[54],"STRICTLY":[56],"PROHIBITED":[57],"without":[58],"explicit":[59],"prior":[60],"permission":[61],"licensing":[63],"agreements.":[64],"Pharmaceutical":[65],"companies":[66],"or":[67],"commercial":[68],"entities":[69],"wishing":[70],"utilize":[72],"this":[73,219],"must":[75],"contact":[76],"authors.":[78],"Overview":[79],"repository":[81],"contains":[82],"a":[83],"comprehensive":[84],"chemoinformatics":[85],"mapping":[87],"secondary":[89],"metabolites":[90],"25,634":[92],"plant":[93],"species":[94],"indigenous":[95],"Indonesia.":[97],"The":[98,181],"features":[100],"34,105":[101],"unique":[102],"natural":[103],"compounds":[104],"curated":[105],"computationally":[106],"through":[107],"duplicate":[108],"elimination,":[109],"molecular":[110],"weight":[111],"filtering,":[112],"Pan":[114],"Assay":[115],"Interference":[116],"Compounds":[117],"(PAINS)":[118],"removal.":[119],"Key":[120],"Features":[121],"Advanced":[122],"ADMET":[123],"Profiling:":[124],"In-depth":[125],"pharmacokinetic":[126],"toxicity":[128],"predictions,":[129],"including":[130],"hERG":[131],"(cardiotoxicity),":[132],"DILI":[133],"(hepatotoxicity),":[134],"Ames":[135],"(mutagenicity),":[136],"CYP450":[138],"enzyme":[139],"inhibition":[140],"probabilities.":[141],"Optimized":[142],"Structures:":[144],"Ready-to-use":[145],"coordinates":[147],"large-scale":[149],"Structure-Based":[150],"Virtual":[151],"Screening":[152],"(SBVS)":[153],"Computer-Aided":[155],"Drug":[156],"Design":[157],"(CADD).":[158],"admet_0.7.rar:":[159],"Contains":[160,170],"14,115":[161],"\"Safe\"":[162],"optimized":[163,173],"structures":[165,175],"(threshold":[166,176],"<":[167,177],"0.7).":[168],"admet_0.5.rar:":[169],"7,785":[171],"\"Ultra-safe\"":[172],"0.5).":[178],"Metadata:":[180],"Secondary":[185],"Metabolites":[186],"Biodiversity.xlsx":[189],"provides":[190],"complete":[191],"SMILES":[192],"analytical":[194],"data.":[195],"Usage":[196],"Citation":[198],"data":[200],"infrastructure":[201],"as":[204],"an":[205],"open-source":[206],"tool":[207],"elevate":[209],"biodiversity":[211],"into":[212],"global":[213],"bioinformatics":[214],"standards.":[215],"If":[216],"you":[217],"use":[218],"in":[221],"your":[222],"please":[224],"cite":[225],"DOI":[227],"(10.5281/zenodo.22127902)":[228],"our":[230],"related":[231],"publications.":[232]},"counts_by_year":[],"updated_date":"2026-10-08T09:06:37.294493","created_date":"2026-08-28T00:00:00"}
