{"id":"https://openalex.org/W2323360415","doi":"https://doi.org/10.1248/cpb.42.176","title":"Solution Structure of HIV-1 Protease-Allophenylnorstatine Derivative Inhibitor Complex Obtained from Molecular Dynamics Simulation.","display_name":"Solution Structure of HIV-1 Protease-Allophenylnorstatine Derivative Inhibitor Complex Obtained from Molecular Dynamics Simulation.","publication_year":1994,"publication_date":"1994-01-01","ids":{"openalex":"https://openalex.org/W2323360415","doi":"https://doi.org/10.1248/cpb.42.176","mag":"2323360415","pmid":"https://pubmed.ncbi.nlm.nih.gov/8124761"},"language":"en","primary_location":{"id":"doi:10.1248/cpb.42.176","doi":"https://doi.org/10.1248/cpb.42.176","is_oa":true,"landing_page_url":"https://doi.org/10.1248/cpb.42.176","pdf_url":"https://www.jstage.jst.go.jp/article/cpb1958/42/1/42_1_176/_pdf","source":{"id":"https://openalex.org/S3861430","display_name":"Chemical and Pharmaceutical Bulletin","issn_l":"0009-2363","issn":["0009-2363","1347-5223"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","medline","norway-1","poland-40","russia-white-list-2"],"host_organization":"https://openalex.org/P4310313382","host_organization_name":"Pharmaceutical Society of Japan","host_organization_lineage":["https://openalex.org/P4310313382"],"host_organization_lineage_names":["Pharmaceutical Society of Japan"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemical and Pharmaceutical Bulletin","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"bronze","oa_url":"https://www.jstage.jst.go.jp/article/cpb1958/42/1/42_1_176/_pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5047797206","display_name":"Ryohei Kato","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I64189623","display_name":"Kitasato University","ror":"https://ror.org/00f2txz25","country_code":"JP","type":"education","lineage":["https://openalex.org/I64189623"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Ryohei KATO","raw_affiliation_strings":["School of Pharmaceutical Sciences, Kitasato University, Tokyo, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Pharmaceutical Sciences, Kitasato University, Tokyo, Japan","institution_ids":["https://openalex.org/I64189623"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Osamu TAKAHASHI","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Osamu TAKAHASHI","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5006557735","display_name":"Yoshiaki Kiso","orcid":"https://orcid.org/0000-0002-7877-8221","observed_orcids":["https://orcid.org/0000-0002-7877-8221"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Yoshiaki KISO","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5054006140","display_name":"IKUO MORIGUCHI","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Ikuo MORIGUCHI","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":null,"display_name":"Shuichi HIRONO","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Shuichi HIRONO","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.2124,"has_fulltext":false,"cited_by_count":14,"citation_normalized_percentile":{"value":0.36987167,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":93},"biblio":{"volume":"42","issue":"1","first_page":"176","last_page":"178"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.6640999913215637,"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"}},"topics":[{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.6640999913215637,"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"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.2061000019311905,"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/T10526","display_name":"HIV/AIDS drug development and treatment","score":0.06279999762773514,"subfield":{"id":"https://openalex.org/subfields/2725","display_name":"Infectious Diseases"},"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/hiv-1-protease","display_name":"HIV-1 protease","score":1.0},{"id":"https://openalex.org/keywords/enzyme-inhibitor-complex","display_name":"enzyme-inhibitor complex","score":0.9240000247955322},{"id":"https://openalex.org/keywords/solution-structure","display_name":"solution structure","score":0.7059999704360962},{"id":"https://openalex.org/keywords/protease-inhibitors","display_name":"protease inhibitors","score":0.5979999899864197},{"id":"https://openalex.org/keywords/molecular-dynamics-simulation","display_name":"molecular dynamics simulation","score":0.6859999895095825}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.9220733642578125},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.7501872777938843},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.7181265354156494},{"id":"https://openalex.org/C184651966","wikidata":"https://www.wikidata.org/wiki/Q906356","display_name":"Aqueous solution","level":2,"score":0.6683283448219299},{"id":"https://openalex.org/C111771559","wikidata":"https://www.wikidata.org/wiki/Q66295","display_name":"Derivative (finance)","level":2,"score":0.6616351008415222},{"id":"https://openalex.org/C2777583353","wikidata":"https://www.wikidata.org/wiki/Q410261","display_name":"HIV-1 protease","level":4,"score":0.6270076036453247},{"id":"https://openalex.org/C2781143361","wikidata":"https://www.wikidata.org/wiki/Q55761529","display_name":"Protease inhibitor (pharmacology)","level":5,"score":0.6241767406463623},{"id":"https://openalex.org/C2776714187","wikidata":"https://www.wikidata.org/wiki/Q212410","display_name":"Protease","level":3,"score":0.6014660000801086},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.5967592597007751},{"id":"https://openalex.org/C2776980637","wikidata":"https://www.wikidata.org/wiki/Q427492","display_name":"Enzyme inhibitor","level":3,"score":0.5921167135238647},{"id":"https://openalex.org/C3013748606","wikidata":"https://www.wikidata.org/wiki/Q15787","display_name":"Human immunodeficiency virus (HIV)","level":2,"score":0.5395269989967346},{"id":"https://openalex.org/C145912823","wikidata":"https://www.wikidata.org/wiki/Q113558","display_name":"Dynamics (music)","level":2,"score":0.5020420551300049},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.450467973947525},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3821932375431061},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.3198624551296234},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.20329618453979492},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.1820518672466278},{"id":"https://openalex.org/C159047783","wikidata":"https://www.wikidata.org/wiki/Q7215","display_name":"Virology","level":1,"score":0.13137823343276978},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"id":"https://openalex.org/C162324750","wikidata":"https://www.wikidata.org/wiki/Q8134","display_name":"Economics","level":0,"score":0.0},{"id":"https://openalex.org/C142462285","wikidata":"https://www.wikidata.org/wiki/Q2528140","display_name":"Viral load","level":3,"score":0.0},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0},{"id":"https://openalex.org/C24890656","wikidata":"https://www.wikidata.org/wiki/Q82811","display_name":"Acoustics","level":1,"score":0.0},{"id":"https://openalex.org/C2993143319","wikidata":"https://www.wikidata.org/wiki/Q583050","display_name":"Antiretroviral therapy","level":4,"score":0.0},{"id":"https://openalex.org/C106159729","wikidata":"https://www.wikidata.org/wiki/Q2294553","display_name":"Financial economics","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007546","descriptor_name":"Isoquinolines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009842","descriptor_name":"Oligopeptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011804","descriptor_name":"Quinolines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D012996","descriptor_name":"Solutions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017320","descriptor_name":"HIV Protease Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D019258","descriptor_name":"Saquinavir","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1248/cpb.42.176","doi":"https://doi.org/10.1248/cpb.42.176","is_oa":true,"landing_page_url":"https://doi.org/10.1248/cpb.42.176","pdf_url":"https://www.jstage.jst.go.jp/article/cpb1958/42/1/42_1_176/_pdf","source":{"id":"https://openalex.org/S3861430","display_name":"Chemical and Pharmaceutical Bulletin","issn_l":"0009-2363","issn":["0009-2363","1347-5223"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","medline","norway-1","poland-40","russia-white-list-2"],"host_organization":"https://openalex.org/P4310313382","host_organization_name":"Pharmaceutical Society of Japan","host_organization_lineage":["https://openalex.org/P4310313382"],"host_organization_lineage_names":["Pharmaceutical Society of Japan"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemical and Pharmaceutical Bulletin","raw_type":"journal-article"},{"id":"pmid:8124761","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/8124761","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":"Chemical & pharmaceutical bulletin","raw_type":"Journal Article"}],"best_oa_location":{"id":"doi:10.1248/cpb.42.176","doi":"https://doi.org/10.1248/cpb.42.176","is_oa":true,"landing_page_url":"https://doi.org/10.1248/cpb.42.176","pdf_url":"https://www.jstage.jst.go.jp/article/cpb1958/42/1/42_1_176/_pdf","source":{"id":"https://openalex.org/S3861430","display_name":"Chemical and Pharmaceutical Bulletin","issn_l":"0009-2363","issn":["0009-2363","1347-5223"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","medline","norway-1","poland-40","russia-white-list-2"],"host_organization":"https://openalex.org/P4310313382","host_organization_name":"Pharmaceutical Society of Japan","host_organization_lineage":["https://openalex.org/P4310313382"],"host_organization_lineage_names":["Pharmaceutical Society of Japan"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemical and Pharmaceutical Bulletin","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2323360415.pdf","grobid_xml":"https://content.openalex.org/works/W2323360415.grobid-xml"},"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W4250671328","https://openalex.org/W2388266257","https://openalex.org/W1984384475","https://openalex.org/W1994426933","https://openalex.org/W4408552972","https://openalex.org/W2526016404","https://openalex.org/W2078842660","https://openalex.org/W2491763563","https://openalex.org/W7135724208","https://openalex.org/W4253200989"],"abstract_inverted_index":{"Structures":[0],"of":[1,5],"two":[2],"enzyme-inhibitor":[3],"complexes":[4],"human":[6],"immunodeficiency":[7],"virus-1":[8],"protease":[9],"with":[10,36],"allophenylnorstatine":[11],"derivatives":[12],"were":[13],"obtained":[14],"from":[15],"molecular":[16],"dynamics":[17],"simulation":[18],"in":[19],"aqueous":[20],"solution.":[21],"The":[22],"stronger":[23],"inhibitor":[24],"gave":[25],"considerably":[26],"smaller":[27],"fluctuation":[28],"at":[29],"P3":[30],"site,":[31],"which":[32],"formed":[33],"hydrogen":[34],"bonding":[35],"the":[37],"enzyme":[38],"flap":[39],"region.":[40]},"counts_by_year":[{"year":2013,"cited_by_count":1}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2016-06-24T00:00:00"}
