{"id":"https://openalex.org/W1984323750","doi":"https://doi.org/10.1007/s10822-011-9489-y","title":"A computational analysis of the binding mode of closantel as inhibitor of the Onchocerca volvulus chitinase: insights on macrofilaricidal drug design","display_name":"A computational analysis of the binding mode of closantel as inhibitor of the Onchocerca volvulus chitinase: insights on macrofilaricidal drug design","publication_year":2011,"publication_date":"2011-11-18","ids":{"openalex":"https://openalex.org/W1984323750","doi":"https://doi.org/10.1007/s10822-011-9489-y","mag":"1984323750","pmid":"https://pubmed.ncbi.nlm.nih.gov/22101363"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-011-9489-y","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-011-9489-y","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"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/A5058503284","display_name":"Aldo Segura\u2010Cabrera","orcid":"https://orcid.org/0000-0003-3044-8028"},"institutions":[{"id":"https://openalex.org/I59361560","display_name":"Instituto Polit\u00e9cnico Nacional","ror":"https://ror.org/059sp8j34","country_code":"MX","type":"education","lineage":["https://openalex.org/I59361560"]},{"id":"https://openalex.org/I65481309","display_name":"Autonomous University of Tamaulipas","ror":"https://ror.org/04hhneb29","country_code":"MX","type":"education","lineage":["https://openalex.org/I65481309"]}],"countries":["MX"],"is_corresponding":true,"raw_author_name":"Aldo Segura-Cabrera","raw_affiliation_strings":["Laboratorio de Bioinform\u00e1tica, Centro de Biotecnolog\u00eda Gen\u00f3mica, Instituto Polit\u00e9cnico Nacional, Boulevard del Maestro esquina El\u00edas Pi\u00f1a, Colonia Narciso Mendoza, 88710, Ciudad Reynosa, Tamaulipas, M\u00e9xico. asegurac@ipn.mx","Laboratorio de Bioinform\u00e1tica, Centro de Biotecnolog\u00eda Gen\u00f3mica, Instituto Polit\u00e9cnico Nacional, Boulevard del Maestro esquina El\u00edas Pi\u00f1a, Ciudad Reynosa, Tamaulipas, M\u00e9xico","Doctorado en Ciencias en Biotecnolog\u00eda, UAM Reynosa Aztl\u00e1n, Universidad Aut\u00f3noma de Tamaulipas, Reynosa, M\u00e9xico"],"affiliations":[{"raw_affiliation_string":"Laboratorio de Bioinform\u00e1tica, Centro de Biotecnolog\u00eda Gen\u00f3mica, Instituto Polit\u00e9cnico Nacional, Boulevard del Maestro esquina El\u00edas Pi\u00f1a, Colonia Narciso Mendoza, 88710, Ciudad Reynosa, Tamaulipas, M\u00e9xico. asegurac@ipn.mx","institution_ids":["https://openalex.org/I59361560"]},{"raw_affiliation_string":"Laboratorio de Bioinform\u00e1tica, Centro de Biotecnolog\u00eda Gen\u00f3mica, Instituto Polit\u00e9cnico Nacional, Boulevard del Maestro esquina El\u00edas Pi\u00f1a, Ciudad Reynosa, Tamaulipas, M\u00e9xico","institution_ids":["https://openalex.org/I59361560"]},{"raw_affiliation_string":"Doctorado en Ciencias en Biotecnolog\u00eda, UAM Reynosa Aztl\u00e1n, Universidad Aut\u00f3noma de Tamaulipas, Reynosa, M\u00e9xico","institution_ids":["https://openalex.org/I65481309"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5059032651","display_name":"Virgilio Bocanegra\u2010Garc\u00eda","orcid":"https://orcid.org/0000-0002-0728-2018"},"institutions":[{"id":"https://openalex.org/I65481309","display_name":"Autonomous University of Tamaulipas","ror":"https://ror.org/04hhneb29","country_code":"MX","type":"education","lineage":["https://openalex.org/I65481309"]}],"countries":["MX"],"is_corresponding":false,"raw_author_name":"Virgilio Bocanegra-Garc\u00eda","raw_affiliation_strings":["Departamento de Biolog\u00eda Molecular y Bioingenier\u00eda, UAM Reynosa Aztl\u00e1n, Universidad Aut\u00f3noma de Tamaulipas, Reynosa, M\u00e9xico","Universidad Aut\u00f3noma de Tamaulipas,"],"affiliations":[{"raw_affiliation_string":"Departamento de Biolog\u00eda Molecular y Bioingenier\u00eda, UAM Reynosa Aztl\u00e1n, Universidad Aut\u00f3noma de Tamaulipas, Reynosa, M\u00e9xico","institution_ids":["https://openalex.org/I65481309"]},{"raw_affiliation_string":"Universidad Aut\u00f3noma de Tamaulipas,","institution_ids":["https://openalex.org/I65481309"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5011994836","display_name":"Cristian Lizarazo-Ortega","orcid":"https://orcid.org/0000-0002-0010-9386"},"institutions":[{"id":"https://openalex.org/I59361560","display_name":"Instituto Polit\u00e9cnico Nacional","ror":"https://ror.org/059sp8j34","country_code":"MX","type":"education","lineage":["https://openalex.org/I59361560"]}],"countries":["MX"],"is_corresponding":false,"raw_author_name":"Cristian Lizarazo-Ortega","raw_affiliation_strings":["Laboratorio de Bioinform\u00e1tica, Centro de Biotecnolog\u00eda Gen\u00f3mica, Instituto Polit\u00e9cnico Nacional, Boulevard del Maestro esquina El\u00edas Pi\u00f1a, Colonia Narciso Mendoza, 88710, Ciudad Reynosa, Tamaulipas, M\u00e9xico","Laboratorio de Bioinform\u00e1tica, Centro de Biotecnolog\u00eda Gen\u00f3mica, Instituto Polit\u00e9cnico Nacional, Boulevard del Maestro esquina El\u00edas Pi\u00f1a, Ciudad Reynosa, Tamaulipas, M\u00e9xico"],"affiliations":[{"raw_affiliation_string":"Laboratorio de Bioinform\u00e1tica, Centro de Biotecnolog\u00eda Gen\u00f3mica, Instituto Polit\u00e9cnico Nacional, Boulevard del Maestro esquina El\u00edas Pi\u00f1a, Colonia Narciso Mendoza, 88710, Ciudad Reynosa, Tamaulipas, M\u00e9xico","institution_ids":["https://openalex.org/I59361560"]},{"raw_affiliation_string":"Laboratorio de Bioinform\u00e1tica, Centro de Biotecnolog\u00eda Gen\u00f3mica, Instituto Polit\u00e9cnico Nacional, Boulevard del Maestro esquina El\u00edas Pi\u00f1a, Ciudad Reynosa, Tamaulipas, M\u00e9xico","institution_ids":["https://openalex.org/I59361560"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5015718658","display_name":"Xianwu Guo","orcid":"https://orcid.org/0000-0003-2013-5853"},"institutions":[{"id":"https://openalex.org/I59361560","display_name":"Instituto Polit\u00e9cnico Nacional","ror":"https://ror.org/059sp8j34","country_code":"MX","type":"education","lineage":["https://openalex.org/I59361560"]}],"countries":["MX"],"is_corresponding":false,"raw_author_name":"Xianwu Guo","raw_affiliation_strings":["Laboratorio de Biomedicina Molecular, Centro de Biotecnolog\u00eda Gen\u00f3mica, Instituto Polit\u00e9cnico Nacional, Boulevard del Maestro esquina El\u00edas Pi\u00f1a, Colonia Narciso Mendoza, 88710, Ciudad Reynosa, Tamaulipas, M\u00e9xico","Laboratorio de Biomedicina Molecular, Centro de Biotecnolog\u00eda Gen\u00f3mica, Instituto Polit\u00e9cnico Nacional, Boulevard del Maestro esquina El\u00edas Pi\u00f1a, Ciudad Reynosa, Tamaulipas, M\u00e9xico"],"affiliations":[{"raw_affiliation_string":"Laboratorio de Biomedicina Molecular, Centro de Biotecnolog\u00eda Gen\u00f3mica, Instituto Polit\u00e9cnico Nacional, Boulevard del Maestro esquina El\u00edas Pi\u00f1a, Colonia Narciso Mendoza, 88710, Ciudad Reynosa, Tamaulipas, M\u00e9xico","institution_ids":["https://openalex.org/I59361560"]},{"raw_affiliation_string":"Laboratorio de Biomedicina Molecular, Centro de Biotecnolog\u00eda Gen\u00f3mica, Instituto Polit\u00e9cnico Nacional, Boulevard del Maestro esquina El\u00edas Pi\u00f1a, Ciudad Reynosa, Tamaulipas, M\u00e9xico","institution_ids":["https://openalex.org/I59361560"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5041724997","display_name":"Jos\u00e9 Correa\u2010Basurto","orcid":"https://orcid.org/0000-0002-4973-5265"},"institutions":[{"id":"https://openalex.org/I59361560","display_name":"Instituto Polit\u00e9cnico Nacional","ror":"https://ror.org/059sp8j34","country_code":"MX","type":"education","lineage":["https://openalex.org/I59361560"]}],"countries":["MX"],"is_corresponding":false,"raw_author_name":"Jos\u00e9 Correa-Basurto","raw_affiliation_strings":["Laboratorio de Modelado Molecular-SEPI y Departamento de Bioqu\u00edmica de la Escuela Superior de Medicina del Instituto Polit\u00e9cnico Nacional, Plan de San Luis y D\u00edaz Mir\u00f3n s/n, M\u00e9xico D.F., 11340, M\u00e9xico","Laboratorio de Modelado Molecular-SEPI y Departamento de Bioqu\u00edmica de la Escuela Superior de Medicina del Instituto Polit\u00e9cnico Nacional, M\u00e9xico D.F., M\u00e9xico"],"affiliations":[{"raw_affiliation_string":"Laboratorio de Modelado Molecular-SEPI y Departamento de Bioqu\u00edmica de la Escuela Superior de Medicina del Instituto Polit\u00e9cnico Nacional, Plan de San Luis y D\u00edaz Mir\u00f3n s/n, M\u00e9xico D.F., 11340, M\u00e9xico","institution_ids":["https://openalex.org/I59361560"]},{"raw_affiliation_string":"Laboratorio de Modelado Molecular-SEPI y Departamento de Bioqu\u00edmica de la Escuela Superior de Medicina del Instituto Polit\u00e9cnico Nacional, M\u00e9xico D.F., M\u00e9xico","institution_ids":["https://openalex.org/I59361560"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5079194565","display_name":"Mario A. Rodr\u00edguez\u2010P\u00e9rez","orcid":"https://orcid.org/0000-0002-0905-6073"},"institutions":[{"id":"https://openalex.org/I59361560","display_name":"Instituto Polit\u00e9cnico Nacional","ror":"https://ror.org/059sp8j34","country_code":"MX","type":"education","lineage":["https://openalex.org/I59361560"]}],"countries":["MX"],"is_corresponding":false,"raw_author_name":"Mario A. Rodr\u00edguez-P\u00e9rez","raw_affiliation_strings":["Laboratorio de Biomedicina Molecular, Centro de Biotecnolog\u00eda Gen\u00f3mica, Instituto Polit\u00e9cnico Nacional, Boulevard del Maestro esquina El\u00edas Pi\u00f1a, Colonia Narciso Mendoza, 88710, Ciudad Reynosa, Tamaulipas, M\u00e9xico","Laboratorio de Biomedicina Molecular, Centro de Biotecnolog\u00eda Gen\u00f3mica, Instituto Polit\u00e9cnico Nacional, Boulevard del Maestro esquina El\u00edas Pi\u00f1a, Ciudad Reynosa, Tamaulipas, M\u00e9xico"],"affiliations":[{"raw_affiliation_string":"Laboratorio de Biomedicina Molecular, Centro de Biotecnolog\u00eda Gen\u00f3mica, Instituto Polit\u00e9cnico Nacional, Boulevard del Maestro esquina El\u00edas Pi\u00f1a, Colonia Narciso Mendoza, 88710, Ciudad Reynosa, Tamaulipas, M\u00e9xico","institution_ids":["https://openalex.org/I59361560"]},{"raw_affiliation_string":"Laboratorio de Biomedicina Molecular, Centro de Biotecnolog\u00eda Gen\u00f3mica, Instituto Polit\u00e9cnico Nacional, Boulevard del Maestro esquina El\u00edas Pi\u00f1a, Ciudad Reynosa, Tamaulipas, M\u00e9xico","institution_ids":["https://openalex.org/I59361560"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5058503284"],"corresponding_institution_ids":["https://openalex.org/I59361560","https://openalex.org/I65481309"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":1.1017,"has_fulltext":false,"cited_by_count":23,"citation_normalized_percentile":{"value":0.74875255,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":98},"biblio":{"volume":"25","issue":"12","first_page":"1107","last_page":"1119"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11702","display_name":"Parasitic Diseases Research and Treatment","score":0.9837999939918518,"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"}},"topics":[{"id":"https://openalex.org/T11702","display_name":"Parasitic Diseases Research and Treatment","score":0.9837999939918518,"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"}},{"id":"https://openalex.org/T12683","display_name":"Studies on Chitinases and Chitosanases","score":0.9671000242233276,"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/T12134","display_name":"Insect symbiosis and bacterial influences","score":0.9362999796867371,"subfield":{"id":"https://openalex.org/subfields/1109","display_name":"Insect Science"},"field":{"id":"https://openalex.org/fields/11","display_name":"Agricultural and Biological Sciences"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/onchocerca-volvulus","display_name":"Onchocerca volvulus","score":0.9593852758407593},{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.540904700756073},{"id":"https://openalex.org/keywords/mode-of-action","display_name":"Mode of action","score":0.5126206278800964},{"id":"https://openalex.org/keywords/chitinase","display_name":"Chitinase","score":0.47795915603637695},{"id":"https://openalex.org/keywords/onchocerca","display_name":"Onchocerca","score":0.46917134523391724},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.41385626792907715},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.36723217368125916},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.3096979558467865},{"id":"https://openalex.org/keywords/onchocerciasis","display_name":"Onchocerciasis","score":0.28570330142974854},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.16194570064544678},{"id":"https://openalex.org/keywords/immunology","display_name":"Immunology","score":0.15943610668182373},{"id":"https://openalex.org/keywords/ecology","display_name":"Ecology","score":0.10283517837524414},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.10251012444496155}],"concepts":[{"id":"https://openalex.org/C2779027325","wikidata":"https://www.wikidata.org/wiki/Q137224","display_name":"Onchocerca volvulus","level":3,"score":0.9593852758407593},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.540904700756073},{"id":"https://openalex.org/C121587506","wikidata":"https://www.wikidata.org/wiki/Q6888113","display_name":"Mode of action","level":2,"score":0.5126206278800964},{"id":"https://openalex.org/C2780778831","wikidata":"https://www.wikidata.org/wiki/Q424099","display_name":"Chitinase","level":3,"score":0.47795915603637695},{"id":"https://openalex.org/C2776912151","wikidata":"https://www.wikidata.org/wiki/Q2679195","display_name":"Onchocerca","level":4,"score":0.46917134523391724},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.41385626792907715},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.36723217368125916},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.3096979558467865},{"id":"https://openalex.org/C2780727990","wikidata":"https://www.wikidata.org/wiki/Q1137321","display_name":"Onchocerciasis","level":2,"score":0.28570330142974854},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.16194570064544678},{"id":"https://openalex.org/C203014093","wikidata":"https://www.wikidata.org/wiki/Q101929","display_name":"Immunology","level":1,"score":0.15943610668182373},{"id":"https://openalex.org/C18903297","wikidata":"https://www.wikidata.org/wiki/Q7150","display_name":"Ecology","level":1,"score":0.10283517837524414},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.10251012444496155}],"mesh":[{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000871","descriptor_name":"Anthelmintics","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000871","descriptor_name":"Anthelmintics","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000871","descriptor_name":"Anthelmintics","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D002688","descriptor_name":"Chitinases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D002688","descriptor_name":"Chitinases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D002688","descriptor_name":"Chitinases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D002688","descriptor_name":"Chitinases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D002688","descriptor_name":"Chitinases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D002688","descriptor_name":"Chitinases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D002688","descriptor_name":"Chitinases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D002688","descriptor_name":"Chitinases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D002688","descriptor_name":"Chitinases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008969","descriptor_name":"Molecular Sequence Data","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008969","descriptor_name":"Molecular Sequence Data","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008969","descriptor_name":"Molecular Sequence Data","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009855","descriptor_name":"Onchocerciasis","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":false},{"descriptor_ui":"D009855","descriptor_name":"Onchocerciasis","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":false},{"descriptor_ui":"D009855","descriptor_name":"Onchocerciasis","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012458","descriptor_name":"Salicylanilides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D012458","descriptor_name":"Salicylanilides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D012458","descriptor_name":"Salicylanilides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017181","descriptor_name":"Onchocerca volvulus","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D017181","descriptor_name":"Onchocerca volvulus","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D017181","descriptor_name":"Onchocerca volvulus","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D017181","descriptor_name":"Onchocerca volvulus","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":false},{"descriptor_ui":"D017181","descriptor_name":"Onchocerca volvulus","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":false},{"descriptor_ui":"D017181","descriptor_name":"Onchocerca volvulus","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1007/s10822-011-9489-y","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-011-9489-y","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:22101363","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/22101363","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,"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":"Journal of computer-aided molecular design","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Good health and well-being","score":0.5799999833106995,"id":"https://metadata.un.org/sdg/3"}],"awards":[],"funders":[{"id":"https://openalex.org/F4320310145","display_name":"Johns Hopkins University","ror":"https://ror.org/00za53h95"},{"id":"https://openalex.org/F4320324217","display_name":"Comisi\u00f3n de Operaci\u00f3n y Fomento de Actividades Acad\u00e9micas, Instituto Polit\u00e9cnico Nacional","ror":"https://ror.org/059sp8j34"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":45,"referenced_works":["https://openalex.org/W1498615754","https://openalex.org/W1508885706","https://openalex.org/W1526205344","https://openalex.org/W1966774532","https://openalex.org/W1984808204","https://openalex.org/W1991646180","https://openalex.org/W1992192767","https://openalex.org/W2007372909","https://openalex.org/W2008807736","https://openalex.org/W2046993421","https://openalex.org/W2055043387","https://openalex.org/W2063024363","https://openalex.org/W2065283382","https://openalex.org/W2068127938","https://openalex.org/W2071486470","https://openalex.org/W2082582948","https://openalex.org/W2090035064","https://openalex.org/W2090046066","https://openalex.org/W2098303032","https://openalex.org/W2105668062","https://openalex.org/W2105738898","https://openalex.org/W2107368146","https://openalex.org/W2114968071","https://openalex.org/W2115317679","https://openalex.org/W2115726385","https://openalex.org/W2118587156","https://openalex.org/W2128332459","https://openalex.org/W2128572087","https://openalex.org/W2130253098","https://openalex.org/W2132629607","https://openalex.org/W2134967712","https://openalex.org/W2136195730","https://openalex.org/W2144362290","https://openalex.org/W2149231093","https://openalex.org/W2152301430","https://openalex.org/W2155082155","https://openalex.org/W2159945930","https://openalex.org/W2164984955","https://openalex.org/W2168625934","https://openalex.org/W2171268876","https://openalex.org/W2182988546","https://openalex.org/W2188621190","https://openalex.org/W2266642515","https://openalex.org/W2410234197","https://openalex.org/W2883755802"],"related_works":["https://openalex.org/W4388069841","https://openalex.org/W98638489","https://openalex.org/W2394557915","https://openalex.org/W4253960989","https://openalex.org/W1977911543","https://openalex.org/W2247152011","https://openalex.org/W2031371458","https://openalex.org/W2522804019","https://openalex.org/W2326291649","https://openalex.org/W2085910239"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":1},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":2},{"year":2019,"cited_by_count":2},{"year":2018,"cited_by_count":2},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":3},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":5}],"updated_date":"2026-01-13T01:12:25.745995","created_date":"2025-10-10T00:00:00"}
