{"id":"https://openalex.org/W7128622018","doi":"https://doi.org/10.1109/icicis65613.2025.11371188","title":"Discovery of Novel PINK1 Activators: Virtual Screening of Niclosamide-Like Compounds for Potential Parkinson's Disease Therapy","display_name":"Discovery of Novel PINK1 Activators: Virtual Screening of Niclosamide-Like Compounds for Potential Parkinson's Disease Therapy","publication_year":2025,"publication_date":"2025-09-09","ids":{"openalex":"https://openalex.org/W7128622018","doi":"https://doi.org/10.1109/icicis65613.2025.11371188"},"language":"en","primary_location":{"id":"doi:10.1109/icicis65613.2025.11371188","doi":"https://doi.org/10.1109/icicis65613.2025.11371188","is_oa":false,"landing_page_url":"https://doi.org/10.1109/icicis65613.2025.11371188","pdf_url":null,"source":{"id":"https://openalex.org/S7407087900","display_name":"International Conference on Integration of Computational Intelligent System (ICICIS)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"conference"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2025 2nd International Conference on Integration of Computational Intelligent System (ICICIS)","raw_type":"proceedings-article"},"volume":null,"type":"conference-paper","indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5139817198","display_name":"Preeti","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I863896202","display_name":"Delhi Technological University","ror":"https://ror.org/01ztcvt22","country_code":"IN","type":"education","lineage":["https://openalex.org/I863896202"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Preeti","raw_affiliation_strings":["Delhi Technological University,Molecular Neuroscience Functional Genomics Laboratory,Dept. of Biotechnology,New Delhi,India,110042"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Delhi Technological University,Molecular Neuroscience Functional Genomics Laboratory,Dept. of Biotechnology,New Delhi,India,110042","institution_ids":["https://openalex.org/I863896202"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5062138228","display_name":"Pravir Kumar","orcid":"https://orcid.org/0000-0001-7444-2344","observed_orcids":["https://orcid.org/0000-0001-7444-2344"]},"institutions":[{"id":"https://openalex.org/I863896202","display_name":"Delhi Technological University","ror":"https://ror.org/01ztcvt22","country_code":"IN","type":"education","lineage":["https://openalex.org/I863896202"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Pravir Kumar","raw_affiliation_strings":["Delhi Technological University,Molecular Neuroscience Functional Genomics Laboratory,Dept. of Biotechnology,New Delhi,India,110042"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Delhi Technological University,Molecular Neuroscience Functional Genomics Laboratory,Dept. of Biotechnology,New Delhi,India,110042","institution_ids":["https://openalex.org/I863896202"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I863896202"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.6239531,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":"1","last_page":"5"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9926999807357788,"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"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9926999807357788,"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/T10085","display_name":"Parkinson's Disease Mechanisms and Treatments","score":0.00419999985024333,"subfield":{"id":"https://openalex.org/subfields/2728","display_name":"Neurology"},"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/T12023","display_name":"Cholinesterase and Neurodegenerative Diseases","score":0.0007999999797903001,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/parkinson-s-disease","display_name":"Parkinson's disease","score":0.972000002861023},{"id":"https://openalex.org/keywords/niclosamide","display_name":"niclosamide","score":0.9490000009536743},{"id":"https://openalex.org/keywords/drug-repurposing","display_name":"drug repurposing","score":0.9580000042915344},{"id":"https://openalex.org/keywords/mitochondrial-quality-control","display_name":"mitochondrial quality control","score":0.878000020980835},{"id":"https://openalex.org/keywords/neuroprotection","display_name":"neuroprotection","score":0.7570000290870667},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"virtual screening","score":0.6290000081062317},{"id":"https://openalex.org/keywords/zinc-database","display_name":"ZINC database","score":0.7549999952316284},{"id":"https://openalex.org/keywords/adme-prediction","display_name":"ADME prediction","score":0.6610000133514404},{"id":"https://openalex.org/keywords/binding-affinity","display_name":"binding affinity","score":0.6549999713897705}],"concepts":[{"id":"https://openalex.org/C2776804853","wikidata":"https://www.wikidata.org/wiki/Q18045837","display_name":"PINK1","level":5,"score":0.9562000036239624},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.7538999915122986},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.6190000176429749},{"id":"https://openalex.org/C103637391","wikidata":"https://www.wikidata.org/wiki/Q5308921","display_name":"Drug repositioning","level":3,"score":0.5943999886512756},{"id":"https://openalex.org/C519536355","wikidata":"https://www.wikidata.org/wiki/Q21021151","display_name":"Repurposing","level":2,"score":0.5676000118255615},{"id":"https://openalex.org/C25498285","wikidata":"https://www.wikidata.org/wiki/Q1981368","display_name":"Neuroprotection","level":2,"score":0.5597000122070312},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.5177000164985657},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.4934000074863434},{"id":"https://openalex.org/C2779134260","wikidata":"https://www.wikidata.org/wiki/Q12136","display_name":"Disease","level":2,"score":0.44670000672340393},{"id":"https://openalex.org/C69366308","wikidata":"https://www.wikidata.org/wiki/Q2272286","display_name":"ADME","level":3,"score":0.4440000057220459},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.4228000044822693},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.4140999913215637},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.41029998660087585},{"id":"https://openalex.org/C64903051","wikidata":"https://www.wikidata.org/wiki/Q2198549","display_name":"Drug development","level":3,"score":0.38989999890327454},{"id":"https://openalex.org/C2779734285","wikidata":"https://www.wikidata.org/wiki/Q11085","display_name":"Parkinson's disease","level":3,"score":0.37549999356269836},{"id":"https://openalex.org/C137183658","wikidata":"https://www.wikidata.org/wiki/Q461076","display_name":"Dopaminergic","level":3,"score":0.3547999858856201},{"id":"https://openalex.org/C161624437","wikidata":"https://www.wikidata.org/wiki/Q1988322","display_name":"Small molecule","level":2,"score":0.33980000019073486},{"id":"https://openalex.org/C99726746","wikidata":"https://www.wikidata.org/wiki/Q906396","display_name":"Chemical space","level":3,"score":0.33489999175071716},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.334199994802475},{"id":"https://openalex.org/C2777668072","wikidata":"https://www.wikidata.org/wiki/Q2472777","display_name":"Parkin","level":4,"score":0.3084000051021576},{"id":"https://openalex.org/C2779446555","wikidata":"https://www.wikidata.org/wiki/Q7663877","display_name":"Systems pharmacology","level":3,"score":0.3046000003814697},{"id":"https://openalex.org/C2776999253","wikidata":"https://www.wikidata.org/wiki/Q1304270","display_name":"Combination therapy","level":2,"score":0.30320000648498535},{"id":"https://openalex.org/C3018795828","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Binding affinities","level":3,"score":0.3019999861717224},{"id":"https://openalex.org/C169760540","wikidata":"https://www.wikidata.org/wiki/Q207011","display_name":"Neuroscience","level":1,"score":0.28529998660087585},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.2851000130176544},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.2757999897003174},{"id":"https://openalex.org/C2776925932","wikidata":"https://www.wikidata.org/wiki/Q1755122","display_name":"Neurodegeneration","level":3,"score":0.27129998803138733}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1109/icicis65613.2025.11371188","doi":"https://doi.org/10.1109/icicis65613.2025.11371188","is_oa":false,"landing_page_url":"https://doi.org/10.1109/icicis65613.2025.11371188","pdf_url":null,"source":{"id":"https://openalex.org/S7407087900","display_name":"International Conference on Integration of Computational Intelligent System (ICICIS)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"conference"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2025 2nd International Conference on Integration of Computational Intelligent System (ICICIS)","raw_type":"proceedings-article"}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3","score":0.9476000070571899}],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W2775438617","https://openalex.org/W7219203562","https://openalex.org/W4380854349","https://openalex.org/W4319057707","https://openalex.org/W4385431530","https://openalex.org/W4412075638","https://openalex.org/W2892999430","https://openalex.org/W3017380388","https://openalex.org/W3181256377","https://openalex.org/W4362661736"],"abstract_inverted_index":{"Parkinson's":[0,29],"disease":[1],"(PD)":[2],"is":[3,14,24,101],"the$2^{\\text":[4],"{nd":[5],"}}$leading":[6],"neurodegenerative":[7],"diseases":[8],"that":[9,34,53,56],"impact$\\mathbf{1}-\\mathbf{2}":[10],"\\boldsymbol{\\%}$of":[11],"people":[12],"globally,":[13],"a":[15,75,102,142],"condition":[16],"in":[17],"which":[18,100],"dopaminergic":[19],"neurons":[20],"deteriorate.":[21],"Although":[22],"there":[23,31],"presently":[25],"no":[26],"cure":[27],"for":[28,89],"disease,":[30],"are":[32],"medicines":[33],"can":[35],"only":[36],"manage":[37],"its":[38,164],"symptoms.":[39],"Since":[40],"the":[41,44,58,81,118,121,132,157],"majority":[42],"of":[43,60,120,131,144],"PD-related":[45],"mutations":[46],"affected":[47],"PINK1":[48,61,87,104,122],"activity,":[49],"it":[50],"was":[51,114],"hypothesized":[52],"micro":[54],"compounds":[55],"induce":[57],"activation":[59],"would":[62],"preserve":[63],"mitochondrial":[64],"quality":[65],"control":[66],"and":[67,110,128,152],"provide":[68],"beneficial":[69],"neuroprotective":[70],"effects.":[71],"This":[72],"paper":[73],"uses":[74],"drug":[76,99],"repurposing":[77],"approach":[78],"&":[79],"utilizes":[80],"ZINC":[82],"database":[83],"to":[84,140,161],"find":[85],"novel":[86],"activators":[88],"possible":[90],"PD":[91],"treatment":[92],"based":[93],"on":[94],"niclosamide,":[95,141],"an":[96],"FDA-approved":[97],"anthelmintic":[98],"well-known":[103],"activator.":[105],"To":[106],"assess":[107],"binding":[108,150],"affinities":[109],"interactions,":[111],"molecular":[112],"docking":[113],"carried":[115],"out":[116],"against":[117],"structure":[119],"protein":[123],"(8uyf).":[124],"The":[125],"physicochemical":[126],"properties":[127],"drug-like":[129,153],"characteristics":[130],"top-scoring":[133],"molecules":[134],"were":[135],"evaluated":[136],"further.":[137],"When":[138],"compared":[139],"number":[143],"potential":[145],"candidates":[146],"showed":[147],"better":[148],"predicted":[149],"affinity":[151],"characteristics.":[154,166],"We":[155],"used":[156],"drug's":[158],"ADME":[159],"analysis":[160],"further":[162],"confirm":[163],"pharmacokinetic":[165]},"counts_by_year":[],"updated_date":"2026-10-28T10:33:24.094632","created_date":"2026-02-12T00:00:00"}
