{"id":"https://openalex.org/W3131216487","doi":"https://doi.org/10.33545/26646781.2020.v2.i2a.21","title":"Drug reposition of Amoxycillin by molecular docking","display_name":"Drug reposition of Amoxycillin by molecular docking","publication_year":2020,"publication_date":"2020-01-01","ids":{"openalex":"https://openalex.org/W3131216487","doi":"https://doi.org/10.33545/26646781.2020.v2.i2a.21","mag":"3131216487"},"language":"en","primary_location":{"id":"doi:10.33545/26646781.2020.v2.i2a.21","doi":"https://doi.org/10.33545/26646781.2020.v2.i2a.21","is_oa":true,"landing_page_url":"http://dx.doi.org/10.33545/26646781.2020.v2.i2a.21","pdf_url":"https://www.chemistryjournals.net/archives/2020/vol2issue2/PartA/2-2-13-484.pdf","source":{"id":"https://openalex.org/S4387285453","display_name":"International Journal of Advanced Chemistry Research","issn_l":"2664-6781","issn":["2664-6781","2664-679X"],"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":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"International Journal of Advanced Chemistry Research","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"bronze","oa_url":"https://www.chemistryjournals.net/archives/2020/vol2issue2/PartA/2-2-13-484.pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5013440700","display_name":"Nimmagadda Sai Sruthi","orcid":"https://orcid.org/0009-0001-1675-3686","observed_orcids":["https://orcid.org/0009-0001-1675-3686"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Sruthi N","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5016523193","display_name":"R Nithyasree","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Nithyasree R","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5054791947","display_name":"A Sathya","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Sathya A","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.2488,"has_fulltext":true,"cited_by_count":4,"citation_normalized_percentile":{"value":0.46226284,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":96},"biblio":{"volume":"2","issue":"2","first_page":"01","last_page":"11"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9994999766349792,"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":0.9994999766349792,"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/T14099","display_name":"Synthesis and Characterization of Heterocyclic Compounds","score":0.0,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12023","display_name":"Cholinesterase and Neurodegenerative Diseases","score":0.0,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology (medical)"},"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/drug-repurposing","display_name":"drug repurposing","score":0.8799999952316284},{"id":"https://openalex.org/keywords/amoxicillin","display_name":"amoxicillin","score":0.953000009059906},{"id":"https://openalex.org/keywords/pbp1a","display_name":"PBP1a","score":0.9100000262260437},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.6740000247955322},{"id":"https://openalex.org/keywords/shape-based-virtual-screening","display_name":"shape-based virtual screening","score":0.9120000004768372},{"id":"https://openalex.org/keywords/fda-approved-drugs","display_name":"FDA-approved drugs","score":0.6570000052452087},{"id":"https://openalex.org/keywords/binding-pocket","display_name":"binding pocket","score":0.6600000262260437},{"id":"https://openalex.org/keywords/network-analysis","display_name":"network analysis","score":0.3160000145435333}],"concepts":[{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.7715162038803101},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.7463927268981934},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.599503219127655},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.5776793956756592},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.5225971937179565},{"id":"https://openalex.org/C170734499","wikidata":"https://www.wikidata.org/wiki/Q1152227","display_name":"Pharmacogenomics","level":2,"score":0.49674850702285767},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4760734438896179},{"id":"https://openalex.org/C161624437","wikidata":"https://www.wikidata.org/wiki/Q1988322","display_name":"Small molecule","level":2,"score":0.46449875831604004},{"id":"https://openalex.org/C55105296","wikidata":"https://www.wikidata.org/wiki/Q841382","display_name":"Interaction network","level":3,"score":0.4625031650066376},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.44633564352989197},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.2517567276954651},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.17256814241409302},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.14059287309646606},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.12056756019592285},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.07757028937339783},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.33545/26646781.2020.v2.i2a.21","doi":"https://doi.org/10.33545/26646781.2020.v2.i2a.21","is_oa":true,"landing_page_url":"http://dx.doi.org/10.33545/26646781.2020.v2.i2a.21","pdf_url":"https://www.chemistryjournals.net/archives/2020/vol2issue2/PartA/2-2-13-484.pdf","source":{"id":"https://openalex.org/S4387285453","display_name":"International Journal of Advanced Chemistry Research","issn_l":"2664-6781","issn":["2664-6781","2664-679X"],"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":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"International Journal of Advanced Chemistry Research","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.33545/26646781.2020.v2.i2a.21","doi":"https://doi.org/10.33545/26646781.2020.v2.i2a.21","is_oa":true,"landing_page_url":"http://dx.doi.org/10.33545/26646781.2020.v2.i2a.21","pdf_url":"https://www.chemistryjournals.net/archives/2020/vol2issue2/PartA/2-2-13-484.pdf","source":{"id":"https://openalex.org/S4387285453","display_name":"International Journal of Advanced Chemistry Research","issn_l":"2664-6781","issn":["2664-6781","2664-679X"],"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":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"International Journal of Advanced Chemistry Research","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.6240000128746033,"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being"}],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W3131216487.pdf","grobid_xml":"https://content.openalex.org/works/W3131216487.grobid-xml"},"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W2118226640","https://openalex.org/W1975551833","https://openalex.org/W4415457349","https://openalex.org/W1536552954","https://openalex.org/W2920069053","https://openalex.org/W7168275928","https://openalex.org/W2474546929","https://openalex.org/W7139033283","https://openalex.org/W2103566527","https://openalex.org/W4232236034"],"abstract_inverted_index":{"Molecular":[0],"docking":[1,13,106],"has":[2],"become":[3],"an":[4],"increasingly":[5],"important":[6],"tool":[7,101,127],"for":[8,68,90,104,130],"drug":[9,66,138],"discovery.":[10],"The":[11,58,76,136],"molecular":[12,105],"approach":[14],"can":[15],"be":[16],"used":[17,89,103,129],"to":[18,36,53,63],"model":[19],"the":[20,30,38,44,65,91,109,113,117,131,143,147,152],"interaction":[21,139],"between":[22],"a":[23,27],"small":[24,41],"molecule":[25],"and":[26,112,146],"protein":[28,82,119],"at":[29],"atomic":[31],"level,":[32],"which":[33],"allow":[34],"us":[35],"characterize":[37],"behavior":[39],"of":[40,47,96,107,116,133],"molecules":[42,67],"in":[43],"binding":[45,81,114],"site":[46,78],"target":[48,77,118],"proteins":[49],"as":[50,52],"well":[51],"elucidate":[54],"fundamental":[55],"biochemical":[56],"processes.":[57],"present":[59],"work":[60],"was":[61,79,88,102,120,128,140],"aimed":[62],"reposition":[64],"therapeutic":[69],"effects":[70],"other":[71],"than":[72],"their":[73],"approved":[74,98],"activity.":[75],"Penicillin":[80],"1A.":[83],"Swiss":[84],"similarity":[85],"online":[86,124],"platform":[87],"shape":[92],"based":[93],"virtual":[94],"screening":[95],"FDA":[97],"drugs.":[99],"PyRx":[100],"all":[108],"screened":[110],"drugs":[111],"pocket":[115],"confirmed":[121],"from":[122,142,151],"CASTp":[123],"tool.":[125],"Gephi":[126],"designing":[132],"pharmacogenomics":[134],"network.":[135],"repositioned":[137],"different":[141],"original":[144],"interactions":[145],"properties":[148],"were":[149],"studied":[150],"network":[153],"model.":[154]},"counts_by_year":[{"year":2023,"cited_by_count":1},{"year":2021,"cited_by_count":3}],"updated_date":"2026-11-10T11:39:43.021295","created_date":"2021-03-01T00:00:00"}