{"id":"https://openalex.org/W1984618125","doi":"https://doi.org/10.1145/2393216.2393301","title":"Structure based drug design studies on urokinase plasminogen activator inhibitors using AutoDock","display_name":"Structure based drug design studies on urokinase plasminogen activator inhibitors using AutoDock","publication_year":2012,"publication_date":"2012-10-26","ids":{"openalex":"https://openalex.org/W1984618125","doi":"https://doi.org/10.1145/2393216.2393301","mag":"1984618125"},"language":"en","primary_location":{"id":"doi:10.1145/2393216.2393301","is_oa":false,"landing_page_url":"https://doi.org/10.1145/2393216.2393301","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the Second International Conference on Computational Science, Engineering and Information Technology","raw_type":"proceedings-article"},"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/A5111573525","display_name":"M. Babu","orcid":null},"institutions":[{"id":"https://openalex.org/I4210109466","display_name":"CR Rao Advanced Institute of Mathematics, Statistics and Computer Science","ror":"https://ror.org/01sg0nk94","country_code":"IN","type":"facility","lineage":["https://openalex.org/I4210109466"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"M. Naresh Babu","raw_affiliation_strings":["C R Rao Advanced Institute of Mathematics, Statistics and Computer Science"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"C R Rao Advanced Institute of Mathematics, Statistics and Computer Science","institution_ids":["https://openalex.org/I4210109466"]}]},{"author_position":"middle","author":{"id":null,"display_name":"R. Bhramaramba","orcid":null},"institutions":[{"id":"https://openalex.org/I885392262","display_name":"GITAM University","ror":"https://ror.org/0440p1d37","country_code":"IN","type":"education","lineage":["https://openalex.org/I885392262"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"R. Bhramaramba","raw_affiliation_strings":["GITAM University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"GITAM University","institution_ids":["https://openalex.org/I885392262"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5108229863","display_name":"Allam Appa Rao","orcid":null},"institutions":[{"id":"https://openalex.org/I4210109466","display_name":"CR Rao Advanced Institute of Mathematics, Statistics and Computer Science","ror":"https://ror.org/01sg0nk94","country_code":"IN","type":"facility","lineage":["https://openalex.org/I4210109466"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Allam Appa Rao","raw_affiliation_strings":["C R Rao Advanced Institute of Mathematics, Statistics and Computer Science (AIMSCS)"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"C R Rao Advanced Institute of Mathematics, Statistics and Computer Science (AIMSCS)","institution_ids":["https://openalex.org/I4210109466"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.08943089,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":"505","last_page":"507"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10620","display_name":"Protease and Inhibitor Mechanisms","score":0.9997000098228455,"subfield":{"id":"https://openalex.org/subfields/1306","display_name":"Cancer Research"},"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/T10620","display_name":"Protease and Inhibitor Mechanisms","score":0.9997000098228455,"subfield":{"id":"https://openalex.org/subfields/1306","display_name":"Cancer Research"},"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/T11617","display_name":"Enzyme Production and Characterization","score":0.9939000010490417,"subfield":{"id":"https://openalex.org/subfields/1305","display_name":"Biotechnology"},"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/T10881","display_name":"Blood Coagulation and Thrombosis Mechanisms","score":0.9775999784469604,"subfield":{"id":"https://openalex.org/subfields/2720","display_name":"Hematology"},"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/urokinase-receptor","display_name":"Urokinase receptor","score":0.9199009537696838},{"id":"https://openalex.org/keywords/autodock","display_name":"AutoDock","score":0.7937796115875244},{"id":"https://openalex.org/keywords/serine-protease","display_name":"Serine protease","score":0.727863609790802},{"id":"https://openalex.org/keywords/urokinase","display_name":"Urokinase","score":0.7109458446502686},{"id":"https://openalex.org/keywords/plasminogen-activator","display_name":"Plasminogen activator","score":0.7096014022827148},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.6279973387718201},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.5544947385787964},{"id":"https://openalex.org/keywords/activator","display_name":"Activator (genetics)","score":0.5031983256340027},{"id":"https://openalex.org/keywords/protease","display_name":"Protease","score":0.47669216990470886},{"id":"https://openalex.org/keywords/cancer-research","display_name":"Cancer research","score":0.3934738039970398},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.38113927841186523},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.3694468140602112},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.3574829697608948},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.28125983476638794},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.19701305031776428},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.1199975311756134},{"id":"https://openalex.org/keywords/gene","display_name":"Gene","score":0.0890941321849823},{"id":"https://openalex.org/keywords/internal-medicine","display_name":"Internal medicine","score":0.08259209990501404},{"id":"https://openalex.org/keywords/endocrinology","display_name":"Endocrinology","score":0.06730040907859802}],"concepts":[{"id":"https://openalex.org/C56219504","wikidata":"https://www.wikidata.org/wiki/Q7900869","display_name":"Urokinase receptor","level":3,"score":0.9199009537696838},{"id":"https://openalex.org/C2780152424","wikidata":"https://www.wikidata.org/wiki/Q4826062","display_name":"AutoDock","level":4,"score":0.7937796115875244},{"id":"https://openalex.org/C2777807008","wikidata":"https://www.wikidata.org/wiki/Q87324999","display_name":"Serine protease","level":4,"score":0.727863609790802},{"id":"https://openalex.org/C2776892390","wikidata":"https://www.wikidata.org/wiki/Q7119591","display_name":"Urokinase","level":2,"score":0.7109458446502686},{"id":"https://openalex.org/C2779679481","wikidata":"https://www.wikidata.org/wiki/Q13581432","display_name":"Plasminogen activator","level":2,"score":0.7096014022827148},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6279973387718201},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.5544947385787964},{"id":"https://openalex.org/C88045685","wikidata":"https://www.wikidata.org/wiki/Q174576","display_name":"Activator (genetics)","level":3,"score":0.5031983256340027},{"id":"https://openalex.org/C2776714187","wikidata":"https://www.wikidata.org/wiki/Q212410","display_name":"Protease","level":3,"score":0.47669216990470886},{"id":"https://openalex.org/C502942594","wikidata":"https://www.wikidata.org/wiki/Q3421914","display_name":"Cancer research","level":1,"score":0.3934738039970398},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.38113927841186523},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.3694468140602112},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.3574829697608948},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.28125983476638794},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.19701305031776428},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.1199975311756134},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0890941321849823},{"id":"https://openalex.org/C126322002","wikidata":"https://www.wikidata.org/wiki/Q11180","display_name":"Internal medicine","level":1,"score":0.08259209990501404},{"id":"https://openalex.org/C134018914","wikidata":"https://www.wikidata.org/wiki/Q162606","display_name":"Endocrinology","level":1,"score":0.06730040907859802},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1145/2393216.2393301","is_oa":false,"landing_page_url":"https://doi.org/10.1145/2393216.2393301","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the Second International Conference on Computational Science, Engineering and Information Technology","raw_type":"proceedings-article"}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","score":0.7799999713897705,"display_name":"Good health and well-being"}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":5,"referenced_works":["https://openalex.org/W1988996360","https://openalex.org/W2101717440","https://openalex.org/W2119837316","https://openalex.org/W2123287609","https://openalex.org/W2129986286"],"related_works":["https://openalex.org/W2365805995","https://openalex.org/W2348383661","https://openalex.org/W2355221664","https://openalex.org/W281734473","https://openalex.org/W1995841674","https://openalex.org/W197389798","https://openalex.org/W2038747404","https://openalex.org/W2888890599","https://openalex.org/W2061070006","https://openalex.org/W2114135330"],"abstract_inverted_index":{"The":[0],"urokinase":[1,17,77],"plasminogen":[2,18,78],"activator":[3,19,79],"receptor":[4,11],"(uPAR)":[5],"is":[6,89,92],"a":[7,36,74],"glycosylphosphatidylinositol":[8],"(GPI)":[9],"membrane-anchored":[10],"that":[12],"binds":[13],"the":[14],"serine":[15],"protease":[16],"(uPA).":[20],"That":[21,88],"uPAR":[22],"plays":[23],"an":[24],"important":[25],"role":[26],"in":[27,65,82],"determining":[28],"malignancy":[29],"of":[30,39,42,48,76],"most":[31],"human":[32,44],"tumours":[33],"based":[34],"on":[35,73],"large":[37],"number":[38],"experimental":[40,86],"studies":[41,55],"both":[43],"cancers.":[45],"A":[46],"set":[47,75],"5":[49,60],"inhibitors":[50,80],"were":[51],"taken":[52],"for":[53,68],"docking":[54],"with":[56,85,98],"1OWD":[57],"structure.":[58],"These":[59],"small":[61],"molecules":[62],"are":[63],"tested":[64],"wet":[66],"lab":[67],"their":[69],"activity.":[70],"Docking":[71],"analysis":[72],"resulted":[81],"excellent":[83],"correlation":[84],"values.":[87],"active":[90,95],"molecule":[91],"identified":[93],"as":[94],"and":[96,101],"similarly":[97],"moderate":[99],"actives":[100],"inactive.":[102]},"counts_by_year":[],"updated_date":"2026-07-29T14:22:42.915294","created_date":"2025-10-10T00:00:00"}
