{"id":"https://openalex.org/W4401277790","doi":"https://doi.org/10.1007/s10822-024-00567-z","title":"Development of QSARs for cysteine-containing di- and tripeptides with antioxidant activity:influence of the cysteine position","display_name":"Development of QSARs for cysteine-containing di- and tripeptides with antioxidant activity:influence of the cysteine position","publication_year":2024,"publication_date":"2024-08-02","ids":{"openalex":"https://openalex.org/W4401277790","doi":"https://doi.org/10.1007/s10822-024-00567-z","pmid":"https://pubmed.ncbi.nlm.nih.gov/39093524"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-024-00567-z","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-024-00567-z","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/A5094067402","display_name":"Lucas A. Garro","orcid":null},"institutions":[{"id":"https://openalex.org/I73822459","display_name":"National University of San Luis","ror":"https://ror.org/00mczdx43","country_code":"AR","type":"education","lineage":["https://openalex.org/I73822459"]},{"id":"https://openalex.org/I151201029","display_name":"Consejo Nacional de Investigaciones Cient\u00edficas y T\u00e9cnicas","ror":"https://ror.org/03cqe8w59","country_code":"AR","type":"funder","lineage":["https://openalex.org/I151201029","https://openalex.org/I4210123736","https://openalex.org/I4387155568"]}],"countries":["AR"],"is_corresponding":true,"raw_author_name":"Lucas A. Garro","raw_affiliation_strings":["Instituto de F\u00edsica Aplicada (INFAP), CCT - San Luis, CONICET, Universidad Nacional de San Luis, San Luis, 5700, Argentina"],"affiliations":[{"raw_affiliation_string":"Instituto de F\u00edsica Aplicada (INFAP), CCT - San Luis, CONICET, Universidad Nacional de San Luis, San Luis, 5700, Argentina","institution_ids":["https://openalex.org/I73822459","https://openalex.org/I151201029"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5024496211","display_name":"Mat\u00edas F. Andrada","orcid":null},"institutions":[{"id":"https://openalex.org/I73822459","display_name":"National University of San Luis","ror":"https://ror.org/00mczdx43","country_code":"AR","type":"education","lineage":["https://openalex.org/I73822459"]},{"id":"https://openalex.org/I151201029","display_name":"Consejo Nacional de Investigaciones Cient\u00edficas y T\u00e9cnicas","ror":"https://ror.org/03cqe8w59","country_code":"AR","type":"funder","lineage":["https://openalex.org/I151201029","https://openalex.org/I4210123736","https://openalex.org/I4387155568"]}],"countries":["AR"],"is_corresponding":false,"raw_author_name":"Matias F. Andrada","raw_affiliation_strings":["Instituto de F\u00edsica Aplicada (INFAP), CCT - San Luis, CONICET, Universidad Nacional de San Luis, San Luis, 5700, Argentina"],"affiliations":[{"raw_affiliation_string":"Instituto de F\u00edsica Aplicada (INFAP), CCT - San Luis, CONICET, Universidad Nacional de San Luis, San Luis, 5700, Argentina","institution_ids":["https://openalex.org/I73822459","https://openalex.org/I151201029"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5062692677","display_name":"Esteban G. Vega\u2010Hissi","orcid":"https://orcid.org/0000-0002-6920-0903"},"institutions":[{"id":"https://openalex.org/I73822459","display_name":"National University of San Luis","ror":"https://ror.org/00mczdx43","country_code":"AR","type":"education","lineage":["https://openalex.org/I73822459"]},{"id":"https://openalex.org/I151201029","display_name":"Consejo Nacional de Investigaciones Cient\u00edficas y T\u00e9cnicas","ror":"https://ror.org/03cqe8w59","country_code":"AR","type":"funder","lineage":["https://openalex.org/I151201029","https://openalex.org/I4210123736","https://openalex.org/I4387155568"]}],"countries":["AR"],"is_corresponding":false,"raw_author_name":"Esteban G. Vega-Hissi","raw_affiliation_strings":["Facultad de Qu\u00edmica, Bioqu\u00edmica y Farmacia, IMIBIO-SL-CONICET, Universidad Nacional de San Luis, San Luis, 5700, Argentina"],"affiliations":[{"raw_affiliation_string":"Facultad de Qu\u00edmica, Bioqu\u00edmica y Farmacia, IMIBIO-SL-CONICET, Universidad Nacional de San Luis, San Luis, 5700, Argentina","institution_ids":["https://openalex.org/I73822459","https://openalex.org/I151201029"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5066383730","display_name":"S Barberis","orcid":"https://orcid.org/0000-0001-8106-0803"},"institutions":[{"id":"https://openalex.org/I151201029","display_name":"Consejo Nacional de Investigaciones Cient\u00edficas y T\u00e9cnicas","ror":"https://ror.org/03cqe8w59","country_code":"AR","type":"funder","lineage":["https://openalex.org/I151201029","https://openalex.org/I4210123736","https://openalex.org/I4387155568"]},{"id":"https://openalex.org/I73822459","display_name":"National University of San Luis","ror":"https://ror.org/00mczdx43","country_code":"AR","type":"education","lineage":["https://openalex.org/I73822459"]}],"countries":["AR"],"is_corresponding":false,"raw_author_name":"Sonia Barberis","raw_affiliation_strings":["Instituto de F\u00edsica Aplicada (INFAP), CCT - San Luis, CONICET, Universidad Nacional de San Luis, San Luis, 5700, Argentina"],"affiliations":[{"raw_affiliation_string":"Instituto de F\u00edsica Aplicada (INFAP), CCT - San Luis, CONICET, Universidad Nacional de San Luis, San Luis, 5700, Argentina","institution_ids":["https://openalex.org/I73822459","https://openalex.org/I151201029"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5027382318","display_name":"Juan C. Garro Mart\u00ednez","orcid":"https://orcid.org/0000-0001-8310-7388"},"institutions":[{"id":"https://openalex.org/I73822459","display_name":"National University of San Luis","ror":"https://ror.org/00mczdx43","country_code":"AR","type":"education","lineage":["https://openalex.org/I73822459"]},{"id":"https://openalex.org/I151201029","display_name":"Consejo Nacional de Investigaciones Cient\u00edficas y T\u00e9cnicas","ror":"https://ror.org/03cqe8w59","country_code":"AR","type":"funder","lineage":["https://openalex.org/I151201029","https://openalex.org/I4210123736","https://openalex.org/I4387155568"]}],"countries":["AR"],"is_corresponding":false,"raw_author_name":"Juan C. Garro Martinez","raw_affiliation_strings":["Facultad de Qu\u00edmica, Bioqu\u00edmica y Farmacia, IMIBIO-SL-CONICET, Universidad Nacional de San Luis, San Luis, 5700, Argentina. jcgarro@unsl.edu.ar","Facultad de Qu\u00edmica, Bioqu\u00edmica y Farmacia, IMIBIO-SL-CONICET, Universidad Nacional de San Luis, San Luis, 5700, Argentina"],"affiliations":[{"raw_affiliation_string":"Facultad de Qu\u00edmica, Bioqu\u00edmica y Farmacia, IMIBIO-SL-CONICET, Universidad Nacional de San Luis, San Luis, 5700, Argentina. jcgarro@unsl.edu.ar","institution_ids":[]},{"raw_affiliation_string":"Facultad de Qu\u00edmica, Bioqu\u00edmica y Farmacia, IMIBIO-SL-CONICET, Universidad Nacional de San Luis, San Luis, 5700, Argentina","institution_ids":["https://openalex.org/I73822459","https://openalex.org/I151201029"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5094067402"],"corresponding_institution_ids":["https://openalex.org/I151201029","https://openalex.org/I73822459"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":0.7047,"has_fulltext":false,"cited_by_count":3,"citation_normalized_percentile":{"value":0.69793747,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":95,"max":99},"biblio":{"volume":"38","issue":"1","first_page":"27","last_page":"27"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11561","display_name":"Protein Hydrolysis and Bioactive Peptides","score":0.9998000264167786,"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/T11561","display_name":"Protein Hydrolysis and Bioactive Peptides","score":0.9998000264167786,"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":0.9980999827384949,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T13013","display_name":"Free Radicals and Antioxidants","score":0.9902999997138977,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/tripeptide","display_name":"Tripeptide","score":0.9619748592376709},{"id":"https://openalex.org/keywords/cysteine","display_name":"Cysteine","score":0.7647842168807983},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.7541682124137878},{"id":"https://openalex.org/keywords/antioxidant","display_name":"Antioxidant","score":0.7484643459320068},{"id":"https://openalex.org/keywords/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.675725519657135},{"id":"https://openalex.org/keywords/glutathione","display_name":"Glutathione","score":0.6086585521697998},{"id":"https://openalex.org/keywords/peptide","display_name":"Peptide","score":0.3571520745754242},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.34773221611976624},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.346452534198761},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.06663510203361511}],"concepts":[{"id":"https://openalex.org/C167392928","wikidata":"https://www.wikidata.org/wiki/Q4820777","display_name":"Tripeptide","level":3,"score":0.9619748592376709},{"id":"https://openalex.org/C2779201268","wikidata":"https://www.wikidata.org/wiki/Q186474","display_name":"Cysteine","level":3,"score":0.7647842168807983},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7541682124137878},{"id":"https://openalex.org/C2778004101","wikidata":"https://www.wikidata.org/wiki/Q133948","display_name":"Antioxidant","level":2,"score":0.7484643459320068},{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.675725519657135},{"id":"https://openalex.org/C538909803","wikidata":"https://www.wikidata.org/wiki/Q116907","display_name":"Glutathione","level":3,"score":0.6086585521697998},{"id":"https://openalex.org/C2779281246","wikidata":"https://www.wikidata.org/wiki/Q172847","display_name":"Peptide","level":2,"score":0.3571520745754242},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.34773221611976624},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.346452534198761},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.06663510203361511}],"mesh":[{"descriptor_ui":"D000975","descriptor_name":"Antioxidants","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000975","descriptor_name":"Antioxidants","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000975","descriptor_name":"Antioxidants","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000975","descriptor_name":"Antioxidants","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000975","descriptor_name":"Antioxidants","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000975","descriptor_name":"Antioxidants","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000975","descriptor_name":"Antioxidants","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000975","descriptor_name":"Antioxidants","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D003545","descriptor_name":"Cysteine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D003545","descriptor_name":"Cysteine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D003545","descriptor_name":"Cysteine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D003545","descriptor_name":"Cysteine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D004151","descriptor_name":"Dipeptides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D004151","descriptor_name":"Dipeptides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D004151","descriptor_name":"Dipeptides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D004151","descriptor_name":"Dipeptides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D004151","descriptor_name":"Dipeptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D004151","descriptor_name":"Dipeptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D004151","descriptor_name":"Dipeptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D004151","descriptor_name":"Dipeptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009842","descriptor_name":"Oligopeptides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D009842","descriptor_name":"Oligopeptides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D009842","descriptor_name":"Oligopeptides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D009842","descriptor_name":"Oligopeptides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D009842","descriptor_name":"Oligopeptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D009842","descriptor_name":"Oligopeptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D009842","descriptor_name":"Oligopeptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D009842","descriptor_name":"Oligopeptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1007/s10822-024-00567-z","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-024-00567-z","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:39093524","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/39093524","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":[{"score":0.41999998688697815,"display_name":"Zero hunger","id":"https://metadata.un.org/sdg/2"}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":37,"referenced_works":["https://openalex.org/W1537168090","https://openalex.org/W1555075060","https://openalex.org/W1590280487","https://openalex.org/W1970202530","https://openalex.org/W1986172904","https://openalex.org/W1991619291","https://openalex.org/W1993180192","https://openalex.org/W2004076168","https://openalex.org/W2024541964","https://openalex.org/W2028046413","https://openalex.org/W2046027204","https://openalex.org/W2048780229","https://openalex.org/W2057862097","https://openalex.org/W2087661061","https://openalex.org/W2091486853","https://openalex.org/W2152629484","https://openalex.org/W2159887157","https://openalex.org/W2173520324","https://openalex.org/W2199224487","https://openalex.org/W2503169225","https://openalex.org/W2798115135","https://openalex.org/W2805921370","https://openalex.org/W2891650046","https://openalex.org/W2894615818","https://openalex.org/W2913874309","https://openalex.org/W2964942974","https://openalex.org/W3000066373","https://openalex.org/W3108286058","https://openalex.org/W3112107770","https://openalex.org/W3132775553","https://openalex.org/W4285493717","https://openalex.org/W4296045593","https://openalex.org/W4307468223","https://openalex.org/W4308826842","https://openalex.org/W4387302733","https://openalex.org/W4391540793","https://openalex.org/W4394892209"],"related_works":["https://openalex.org/W2149723507","https://openalex.org/W1788024602","https://openalex.org/W2108632050","https://openalex.org/W1983972257","https://openalex.org/W1985451517","https://openalex.org/W2103964183","https://openalex.org/W1968537115","https://openalex.org/W2018628774","https://openalex.org/W2167807668","https://openalex.org/W2040766240"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":2}],"updated_date":"2026-03-27T14:29:43.386196","created_date":"2025-10-10T00:00:00"}
