{"id":"https://openalex.org/W4220697184","doi":"https://doi.org/10.3390/computation10040051","title":"In Silico Analysis of the Multi-Targeted Mode of Action of Ivermectin and Related Compounds","display_name":"In Silico Analysis of the Multi-Targeted Mode of Action of Ivermectin and Related Compounds","publication_year":2022,"publication_date":"2022-03-25","ids":{"openalex":"https://openalex.org/W4220697184","doi":"https://doi.org/10.3390/computation10040051"},"language":"en","primary_location":{"id":"doi:10.3390/computation10040051","is_oa":true,"landing_page_url":"https://doi.org/10.3390/computation10040051","pdf_url":"https://www.mdpi.com/2079-3197/10/4/51/pdf?version=1649747797","source":{"id":"https://openalex.org/S2738402919","display_name":"Computation","issn_l":"2079-3197","issn":["2079-3197"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computation","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://www.mdpi.com/2079-3197/10/4/51/pdf?version=1649747797","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5002129869","display_name":"Maral Aminpour","orcid":"https://orcid.org/0000-0003-3532-4956"},"institutions":[{"id":"https://openalex.org/I154425047","display_name":"University of Alberta","ror":"https://ror.org/0160cpw27","country_code":"CA","type":"education","lineage":["https://openalex.org/I154425047"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Maral Aminpour","raw_affiliation_strings":["Department of Biomedical Engineering, University of Alberta, Edmonton, AB T6G 1Z2, Canada"],"affiliations":[{"raw_affiliation_string":"Department of Biomedical Engineering, University of Alberta, Edmonton, AB T6G 1Z2, Canada","institution_ids":["https://openalex.org/I154425047"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5058362829","display_name":"Marco Cannariato","orcid":"https://orcid.org/0000-0002-7787-3470"},"institutions":[{"id":"https://openalex.org/I177477856","display_name":"Polytechnic University of Turin","ror":"https://ror.org/00bgk9508","country_code":"IT","type":"education","lineage":["https://openalex.org/I177477856"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Marco Cannariato","raw_affiliation_strings":["DIMEAS, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino, Italy"],"affiliations":[{"raw_affiliation_string":"DIMEAS, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino, Italy","institution_ids":["https://openalex.org/I177477856"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5042218050","display_name":"Jordane Preto","orcid":"https://orcid.org/0000-0002-6041-4008"},"institutions":[{"id":"https://openalex.org/I154526488","display_name":"Inserm","ror":"https://ror.org/02vjkv261","country_code":"FR","type":"funder","lineage":["https://openalex.org/I154526488"]},{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"funder","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I100532134","display_name":"Universit\u00e9 Claude Bernard Lyon 1","ror":"https://ror.org/029brtt94","country_code":"FR","type":"education","lineage":["https://openalex.org/I100532134","https://openalex.org/I203339264"]},{"id":"https://openalex.org/I4210125048","display_name":"Centre de Recherche en Canc\u00e9rologie de Lyon","ror":"https://ror.org/02mgw3155","country_code":"FR","type":"facility","lineage":["https://openalex.org/I100532134","https://openalex.org/I1294671590","https://openalex.org/I1294671590","https://openalex.org/I154526488","https://openalex.org/I203339264","https://openalex.org/I4210096427","https://openalex.org/I4210105738","https://openalex.org/I4210125048"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Jordane Preto","raw_affiliation_strings":["Centre de Recherche en Canc\u00e9rologie de Lyon, Universit\u00e9 Claude Bernard Lyon 1, INSERM 1052, CNRS 5286, 69008 Lyon, France"],"affiliations":[{"raw_affiliation_string":"Centre de Recherche en Canc\u00e9rologie de Lyon, Universit\u00e9 Claude Bernard Lyon 1, INSERM 1052, CNRS 5286, 69008 Lyon, France","institution_ids":["https://openalex.org/I4210125048","https://openalex.org/I100532134","https://openalex.org/I154526488","https://openalex.org/I1294671590"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5074257732","display_name":"M. Ehsan Safaeeardebili","orcid":null},"institutions":[{"id":"https://openalex.org/I177477856","display_name":"Polytechnic University of Turin","ror":"https://ror.org/00bgk9508","country_code":"IT","type":"education","lineage":["https://openalex.org/I177477856"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"M. Ehsan Safaeeardebili","raw_affiliation_strings":["DIMEAS, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino, Italy"],"affiliations":[{"raw_affiliation_string":"DIMEAS, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino, Italy","institution_ids":["https://openalex.org/I177477856"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5052804801","display_name":"Alexia Moracchiato","orcid":null},"institutions":[{"id":"https://openalex.org/I177477856","display_name":"Polytechnic University of Turin","ror":"https://ror.org/00bgk9508","country_code":"IT","type":"education","lineage":["https://openalex.org/I177477856"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Alexia Moracchiato","raw_affiliation_strings":["DIMEAS, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino, Italy"],"affiliations":[{"raw_affiliation_string":"DIMEAS, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino, Italy","institution_ids":["https://openalex.org/I177477856"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5076762334","display_name":"Domiziano Doria","orcid":"https://orcid.org/0000-0002-6176-3576"},"institutions":[{"id":"https://openalex.org/I4210125048","display_name":"Centre de Recherche en Canc\u00e9rologie de Lyon","ror":"https://ror.org/02mgw3155","country_code":"FR","type":"facility","lineage":["https://openalex.org/I100532134","https://openalex.org/I1294671590","https://openalex.org/I1294671590","https://openalex.org/I154526488","https://openalex.org/I203339264","https://openalex.org/I4210096427","https://openalex.org/I4210105738","https://openalex.org/I4210125048"]},{"id":"https://openalex.org/I100532134","display_name":"Universit\u00e9 Claude Bernard Lyon 1","ror":"https://ror.org/029brtt94","country_code":"FR","type":"education","lineage":["https://openalex.org/I100532134","https://openalex.org/I203339264"]},{"id":"https://openalex.org/I154526488","display_name":"Inserm","ror":"https://ror.org/02vjkv261","country_code":"FR","type":"funder","lineage":["https://openalex.org/I154526488"]},{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"funder","lineage":["https://openalex.org/I1294671590"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Domiziano Doria","raw_affiliation_strings":["Centre de Recherche en Canc\u00e9rologie de Lyon, Universit\u00e9 Claude Bernard Lyon 1, INSERM 1052, CNRS 5286, 69008 Lyon, France"],"affiliations":[{"raw_affiliation_string":"Centre de Recherche en Canc\u00e9rologie de Lyon, Universit\u00e9 Claude Bernard Lyon 1, INSERM 1052, CNRS 5286, 69008 Lyon, France","institution_ids":["https://openalex.org/I4210125048","https://openalex.org/I100532134","https://openalex.org/I154526488","https://openalex.org/I1294671590"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5019636966","display_name":"F. Donato","orcid":null},"institutions":[{"id":"https://openalex.org/I177477856","display_name":"Polytechnic University of Turin","ror":"https://ror.org/00bgk9508","country_code":"IT","type":"education","lineage":["https://openalex.org/I177477856"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Francesca Donato","raw_affiliation_strings":["DIMEAS, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino, Italy"],"affiliations":[{"raw_affiliation_string":"DIMEAS, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino, Italy","institution_ids":["https://openalex.org/I177477856"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5018849047","display_name":"Eric A. Zizzi","orcid":"https://orcid.org/0000-0001-6690-5986"},"institutions":[{"id":"https://openalex.org/I177477856","display_name":"Polytechnic University of Turin","ror":"https://ror.org/00bgk9508","country_code":"IT","type":"education","lineage":["https://openalex.org/I177477856"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Eric Adriano Zizzi","raw_affiliation_strings":["DIMEAS, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino, Italy"],"affiliations":[{"raw_affiliation_string":"DIMEAS, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino, Italy","institution_ids":["https://openalex.org/I177477856"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5076547286","display_name":"Marco A. Deriu","orcid":"https://orcid.org/0000-0003-1918-1772"},"institutions":[{"id":"https://openalex.org/I177477856","display_name":"Polytechnic University of Turin","ror":"https://ror.org/00bgk9508","country_code":"IT","type":"education","lineage":["https://openalex.org/I177477856"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Marco Agostino Deriu","raw_affiliation_strings":["DIMEAS, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino, Italy"],"affiliations":[{"raw_affiliation_string":"DIMEAS, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino, Italy","institution_ids":["https://openalex.org/I177477856"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5058978480","display_name":"David Scheim","orcid":"https://orcid.org/0000-0001-6841-7054"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"David E. Scheim","raw_affiliation_strings":["US Public Health Service, Commissioned Corps, Inactive Reserve, Blacksburg, VA 24060-6367, USA"],"affiliations":[{"raw_affiliation_string":"US Public Health Service, Commissioned Corps, Inactive Reserve, Blacksburg, VA 24060-6367, USA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5010339370","display_name":"Alessandro D. Santin","orcid":"https://orcid.org/0000-0003-4724-9738"},"institutions":[{"id":"https://openalex.org/I32971472","display_name":"Yale University","ror":"https://ror.org/03v76x132","country_code":"US","type":"education","lineage":["https://openalex.org/I32971472"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Alessandro D. Santin","raw_affiliation_strings":["Obstetrics, Gynecology & Reproductive Sciences, Yale School of Medicine, P.O. Box 208063, New Haven, CT 06520-8063, USA"],"affiliations":[{"raw_affiliation_string":"Obstetrics, Gynecology & Reproductive Sciences, Yale School of Medicine, P.O. Box 208063, New Haven, CT 06520-8063, USA","institution_ids":["https://openalex.org/I32971472"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5082024795","display_name":"Jack A. Tuszy\u0144ski","orcid":"https://orcid.org/0000-0001-9976-0429"},"institutions":[{"id":"https://openalex.org/I177477856","display_name":"Polytechnic University of Turin","ror":"https://ror.org/00bgk9508","country_code":"IT","type":"education","lineage":["https://openalex.org/I177477856"]},{"id":"https://openalex.org/I154425047","display_name":"University of Alberta","ror":"https://ror.org/0160cpw27","country_code":"CA","type":"education","lineage":["https://openalex.org/I154425047"]}],"countries":["CA","IT"],"is_corresponding":true,"raw_author_name":"Jack Adam Tuszynski","raw_affiliation_strings":["DIMEAS, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino, Italy","Department of Physics, University of Alberta, Edmonton, AB T6G 1Z2, Canada"],"affiliations":[{"raw_affiliation_string":"DIMEAS, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino, Italy","institution_ids":["https://openalex.org/I177477856"]},{"raw_affiliation_string":"Department of Physics, University of Alberta, Edmonton, AB T6G 1Z2, Canada","institution_ids":["https://openalex.org/I154425047"]}]}],"institutions":[],"countries_distinct_count":4,"institutions_distinct_count":12,"corresponding_author_ids":["https://openalex.org/A5082024795"],"corresponding_institution_ids":["https://openalex.org/I154425047","https://openalex.org/I177477856"],"apc_list":{"value":1400,"currency":"CHF","value_usd":1515},"apc_paid":{"value":1400,"currency":"CHF","value_usd":1515},"fwci":2.1422,"has_fulltext":false,"cited_by_count":16,"citation_normalized_percentile":{"value":0.86144101,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":96,"max":99},"biblio":{"volume":"10","issue":"4","first_page":"51","last_page":"51"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11103","display_name":"Antimicrobial Peptides and Activities","score":0.9815000295639038,"subfield":{"id":"https://openalex.org/subfields/2404","display_name":"Microbiology"},"field":{"id":"https://openalex.org/fields/24","display_name":"Immunology and Microbiology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T11103","display_name":"Antimicrobial Peptides and Activities","score":0.9815000295639038,"subfield":{"id":"https://openalex.org/subfields/2404","display_name":"Microbiology"},"field":{"id":"https://openalex.org/fields/24","display_name":"Immunology and Microbiology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T13037","display_name":"Piperaceae Chemical and Biological Studies","score":0.9623000025749207,"subfield":{"id":"https://openalex.org/subfields/3004","display_name":"Pharmacology"},"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/T13326","display_name":"Biochemical and Structural Characterization","score":0.9621999859809875,"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/in-silico","display_name":"In silico","score":0.6508851647377014},{"id":"https://openalex.org/keywords/ivermectin","display_name":"Ivermectin","score":0.6400256752967834},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.6004590392112732},{"id":"https://openalex.org/keywords/infectivity","display_name":"Infectivity","score":0.5928516983985901},{"id":"https://openalex.org/keywords/mode-of-action","display_name":"Mode of action","score":0.5659587979316711},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.48708462715148926},{"id":"https://openalex.org/keywords/virus","display_name":"Virus","score":0.4822545647621155},{"id":"https://openalex.org/keywords/binding-site","display_name":"Binding site","score":0.45304253697395325},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.43793946504592896},{"id":"https://openalex.org/keywords/cholinergic","display_name":"Cholinergic","score":0.43059319257736206},{"id":"https://openalex.org/keywords/mechanism-of-action","display_name":"Mechanism of action","score":0.42874976992607117},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.4093979001045227},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.3952479362487793},{"id":"https://openalex.org/keywords/virology","display_name":"Virology","score":0.3406152129173279},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.2699914574623108},{"id":"https://openalex.org/keywords/in-vitro","display_name":"In vitro","score":0.16301855444908142},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.10330188274383545},{"id":"https://openalex.org/keywords/gene","display_name":"Gene","score":0.0906866192817688}],"concepts":[{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.6508851647377014},{"id":"https://openalex.org/C2777499811","wikidata":"https://www.wikidata.org/wiki/Q415178","display_name":"Ivermectin","level":2,"score":0.6400256752967834},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.6004590392112732},{"id":"https://openalex.org/C106358424","wikidata":"https://www.wikidata.org/wiki/Q1662346","display_name":"Infectivity","level":3,"score":0.5928516983985901},{"id":"https://openalex.org/C121587506","wikidata":"https://www.wikidata.org/wiki/Q6888113","display_name":"Mode of action","level":2,"score":0.5659587979316711},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.48708462715148926},{"id":"https://openalex.org/C2522874641","wikidata":"https://www.wikidata.org/wiki/Q808","display_name":"Virus","level":2,"score":0.4822545647621155},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.45304253697395325},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.43793946504592896},{"id":"https://openalex.org/C22885893","wikidata":"https://www.wikidata.org/wiki/Q4862743","display_name":"Cholinergic","level":2,"score":0.43059319257736206},{"id":"https://openalex.org/C2776120743","wikidata":"https://www.wikidata.org/wiki/Q3271540","display_name":"Mechanism of action","level":3,"score":0.42874976992607117},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.4093979001045227},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.3952479362487793},{"id":"https://openalex.org/C159047783","wikidata":"https://www.wikidata.org/wiki/Q7215","display_name":"Virology","level":1,"score":0.3406152129173279},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.2699914574623108},{"id":"https://openalex.org/C202751555","wikidata":"https://www.wikidata.org/wiki/Q221681","display_name":"In vitro","level":2,"score":0.16301855444908142},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.10330188274383545},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0906866192817688},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0},{"id":"https://openalex.org/C169760540","wikidata":"https://www.wikidata.org/wiki/Q207011","display_name":"Neuroscience","level":1,"score":0.0},{"id":"https://openalex.org/C90856448","wikidata":"https://www.wikidata.org/wiki/Q431","display_name":"Zoology","level":1,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.3390/computation10040051","is_oa":true,"landing_page_url":"https://doi.org/10.3390/computation10040051","pdf_url":"https://www.mdpi.com/2079-3197/10/4/51/pdf?version=1649747797","source":{"id":"https://openalex.org/S2738402919","display_name":"Computation","issn_l":"2079-3197","issn":["2079-3197"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computation","raw_type":"journal-article"},{"id":"pmh:oai:doaj.org/article:e6955eea9d134214b507a187472c4042","is_oa":true,"landing_page_url":"https://doaj.org/article/e6955eea9d134214b507a187472c4042","pdf_url":null,"source":{"id":"https://openalex.org/S112646816","display_name":"SHILAP Revista de lepidopterolog\u00eda","issn_l":"0300-5267","issn":["0300-5267","2340-4078"],"is_oa":true,"is_in_doaj":true,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Computation, Vol 10, Iss 4, p 51 (2022)","raw_type":"article"},{"id":"pmh:oai:mdpi.com:/2079-3197/10/4/51/","is_oa":true,"landing_page_url":"https://dx.doi.org/10.3390/computation10040051","pdf_url":null,"source":{"id":"https://openalex.org/S4306400947","display_name":"MDPI (MDPI AG)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210097602","host_organization_name":"Multidisciplinary Digital Publishing Institute (Switzerland)","host_organization_lineage":["https://openalex.org/I4210097602"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Computation; Volume 10; Issue 4; Pages: 51","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.3390/computation10040051","is_oa":true,"landing_page_url":"https://doi.org/10.3390/computation10040051","pdf_url":"https://www.mdpi.com/2079-3197/10/4/51/pdf?version=1649747797","source":{"id":"https://openalex.org/S2738402919","display_name":"Computation","issn_l":"2079-3197","issn":["2079-3197"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computation","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4220697184.pdf","grobid_xml":"https://content.openalex.org/works/W4220697184.grobid-xml"},"referenced_works_count":137,"referenced_works":["https://openalex.org/W249202328","https://openalex.org/W1493772118","https://openalex.org/W1539248632","https://openalex.org/W1896254721","https://openalex.org/W1959467500","https://openalex.org/W1968319881","https://openalex.org/W1971443236","https://openalex.org/W1973895646","https://openalex.org/W1977513191","https://openalex.org/W1983849953","https://openalex.org/W1985426472","https://openalex.org/W1991496259","https://openalex.org/W2012188043","https://openalex.org/W2021337119","https://openalex.org/W2021520922","https://openalex.org/W2032815135","https://openalex.org/W2036715058","https://openalex.org/W2042587442","https://openalex.org/W2069226008","https://openalex.org/W2070197997","https://openalex.org/W2073295417","https://openalex.org/W2101903836","https://openalex.org/W2102658703","https://openalex.org/W2104930292","https://openalex.org/W2107651145","https://openalex.org/W2109902718","https://openalex.org/W2127760066","https://openalex.org/W2129672864","https://openalex.org/W2133138650","https://openalex.org/W2133656640","https://openalex.org/W2134967712","https://openalex.org/W2141504923","https://openalex.org/W2143422060","https://openalex.org/W2145478397","https://openalex.org/W2151460035","https://openalex.org/W2155604535","https://openalex.org/W2163042186","https://openalex.org/W2163242365","https://openalex.org/W2166867592","https://openalex.org/W2170233783","https://openalex.org/W2172179018","https://openalex.org/W2177551934","https://openalex.org/W2232079326","https://openalex.org/W2287825128","https://openalex.org/W2322102240","https://openalex.org/W2402564818","https://openalex.org/W2439081222","https://openalex.org/W2475638515","https://openalex.org/W2513547424","https://openalex.org/W2528687767","https://openalex.org/W2564848902","https://openalex.org/W2593277929","https://openalex.org/W2594139805","https://openalex.org/W2755284350","https://openalex.org/W2758337765","https://openalex.org/W2783142161","https://openalex.org/W2789299939","https://openalex.org/W2888695779","https://openalex.org/W2912436263","https://openalex.org/W2948622157","https://openalex.org/W2949697884","https://openalex.org/W2960739315","https://openalex.org/W2978652919","https://openalex.org/W2981366800","https://openalex.org/W3001456238","https://openalex.org/W3001552927","https://openalex.org/W3003464757","https://openalex.org/W3005811007","https://openalex.org/W3007643904","https://openalex.org/W3008461878","https://openalex.org/W3009912996","https://openalex.org/W3012674258","https://openalex.org/W3012967418","https://openalex.org/W3014962324","https://openalex.org/W3015186638","https://openalex.org/W3017743621","https://openalex.org/W3017835153","https://openalex.org/W3019953082","https://openalex.org/W3020220390","https://openalex.org/W3020869102","https://openalex.org/W3021183041","https://openalex.org/W3021191129","https://openalex.org/W3022435472","https://openalex.org/W3022875749","https://openalex.org/W3023376619","https://openalex.org/W3024900029","https://openalex.org/W3026342345","https://openalex.org/W3029018063","https://openalex.org/W3033184506","https://openalex.org/W3033658063","https://openalex.org/W3035513000","https://openalex.org/W3036635817","https://openalex.org/W3036954258","https://openalex.org/W3037229948","https://openalex.org/W3037820956","https://openalex.org/W3045836602","https://openalex.org/W3046463683","https://openalex.org/W3046858208","https://openalex.org/W3047519847","https://openalex.org/W3047652295","https://openalex.org/W3048557052","https://openalex.org/W3049098896","https://openalex.org/W3049142173","https://openalex.org/W3080928896","https://openalex.org/W3082948952","https://openalex.org/W3086712138","https://openalex.org/W3087144526","https://openalex.org/W3087833333","https://openalex.org/W3088579397","https://openalex.org/W3091344371","https://openalex.org/W3091860795","https://openalex.org/W3094352710","https://openalex.org/W3106676101","https://openalex.org/W3107235131","https://openalex.org/W3111068209","https://openalex.org/W3112902030","https://openalex.org/W3119172128","https://openalex.org/W3120108340","https://openalex.org/W3124370831","https://openalex.org/W3125747695","https://openalex.org/W3133749268","https://openalex.org/W3134967235","https://openalex.org/W3139482760","https://openalex.org/W3145359886","https://openalex.org/W3150505176","https://openalex.org/W3157383433","https://openalex.org/W3158596488","https://openalex.org/W3161062707","https://openalex.org/W3172464066","https://openalex.org/W3193093973","https://openalex.org/W3199084935","https://openalex.org/W4214665875","https://openalex.org/W4232151940","https://openalex.org/W4254859624","https://openalex.org/W6679809336","https://openalex.org/W6769957539","https://openalex.org/W6776745342"],"related_works":["https://openalex.org/W2109097527","https://openalex.org/W190931331","https://openalex.org/W2408674979","https://openalex.org/W1999190022","https://openalex.org/W2124907205","https://openalex.org/W2991156602","https://openalex.org/W171835744","https://openalex.org/W2007070373","https://openalex.org/W2016045984","https://openalex.org/W1978768972"],"abstract_inverted_index":{"Some":[0],"clinical":[1],"studies":[2],"have":[3],"indicated":[4,105],"activity":[5],"of":[6,36,38,50,72,77,107,110,141,150,158,166,184],"ivermectin,":[7,151],"a":[8,14,89],"macrocyclic":[9],"lactone,":[10],"against":[11],"COVID-19,":[12],"but":[13],"biological":[15,173],"mechanism":[16],"initially":[17],"proposed":[18],"for":[19,62,70,93,119,133,156,163],"this":[20],"anti-viral":[21],"effect":[22],"is":[23],"not":[24],"applicable":[25],"at":[26],"physiological":[27],"concentrations.":[28],"This":[29],"in":[30],"silico":[31],"investigation":[32],"explores":[33],"potential":[34],"modes":[35,140],"action":[37],"ivermectin":[39,177],"and":[40,48,96,138,152,182,188],"14":[41],"related":[42],"compounds,":[43],"by":[44,125,175,199],"which":[45,84,176],"the":[46,51,74,78,81,94,98,120,126,147,159,180,185],"infectivity":[47,181],"morbidity":[49,183],"SARS-CoV-2":[52,186],"virus":[53,187],"may":[54,178],"be":[55],"limited.":[56],"Binding":[57,129],"affinity":[58,149],"computations":[59],"were":[60,131],"performed":[61],"these":[63,134,167],"agents":[64],"on":[65],"several":[66],"docking":[67,136],"sites":[68,137],"each":[69,142],"models":[71],"(1)":[73],"spike":[75],"glycoprotein":[76],"virus,":[79,95],"(2)":[80],"CD147":[82],"receptor,":[83],"has":[85],"been":[86],"identified":[87],"as":[88,113,115],"secondary":[90],"attachment":[91],"point":[92,106],"(3)":[97],"alpha-7":[99],"nicotinic":[100],"acetylcholine":[101],"receptor":[102],"(\u03b17nAChr),":[103],"an":[104,116,190],"viral":[108],"penetration":[109],"neuronal":[111],"tissue":[112],"well":[114],"activation":[117],"site":[118],"cholinergic":[121],"anti-inflammatory":[122,192],"pathway":[123,193],"controlled":[124],"vagus":[127],"nerve.":[128],"affinities":[130,155],"calculated":[132],"multiple":[135],"binding":[139],"compound.":[143],"Our":[144],"results":[145,171],"indicate":[146],"high":[148],"even":[153],"higher":[154],"some":[157],"other":[160],"compounds":[161],"evaluated,":[162],"all":[164],"three":[165],"molecular":[168],"targets.":[169],"These":[170],"suggest":[172],"mechanisms":[174],"limit":[179,196],"stimulate":[189],"\u03b17nAChr-mediated":[191],"that":[194],"could":[195],"cytokine":[197],"production":[198],"immune":[200],"cells.":[201]},"counts_by_year":[{"year":2024,"cited_by_count":3},{"year":2023,"cited_by_count":6},{"year":2022,"cited_by_count":7}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2022-04-03T00:00:00"}