{"id":"https://openalex.org/W4308332634","doi":"https://doi.org/10.3390/scipharm90040070","title":"Anti-Sporotrichotic Activity, Lambert-W Inhibition Kinetics and 3D Structural Characterization of Sporothrix schenckii Catalase as Target of Glucosinolates from Moringa oleifera","display_name":"Anti-Sporotrichotic Activity, Lambert-W Inhibition Kinetics and 3D Structural Characterization of Sporothrix schenckii Catalase as Target of Glucosinolates from Moringa oleifera","publication_year":2022,"publication_date":"2022-11-04","ids":{"openalex":"https://openalex.org/W4308332634","doi":"https://doi.org/10.3390/scipharm90040070"},"language":"en","primary_location":{"id":"doi:10.3390/scipharm90040070","doi":"https://doi.org/10.3390/scipharm90040070","is_oa":true,"landing_page_url":"https://doi.org/10.3390/scipharm90040070","pdf_url":"https://www.mdpi.com/2218-0532/90/4/70/pdf?version=1667543651","source":{"id":"https://openalex.org/S70157725","display_name":"Scientia Pharmaceutica","issn_l":"0036-8709","issn":["0036-8709","2218-0532"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","norway-1","poland-40","russia-white-list-1"],"host_organization":"https://openalex.org/P4310317866","host_organization_name":"\u00d6sterreichische Apotheker-Verlagsgesellschaft m. b. H.","host_organization_lineage":["https://openalex.org/P4310317866"],"host_organization_lineage_names":["\u00d6sterreichische Apotheker-Verlagsgesellschaft m. b. H."],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Scientia Pharmaceutica","raw_type":"journal-article"},"parent_works":[],"lineage":["https://openalex.org/W4308332634"],"child_works_count":0,"type":"article","is_traditional":true,"indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://www.mdpi.com/2218-0532/90/4/70/pdf?version=1667543651","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5038219998","display_name":"Erick Sierra\u2010Campos","orcid":"https://orcid.org/0000-0001-8622-4045","observed_orcids":["https://orcid.org/0000-0001-8622-4045"]},"institutions":[{"id":"https://openalex.org/I200267027","display_name":"Universidad Ju\u00e1rez del Estado de Durango","ror":"https://ror.org/02w0sqd02","country_code":"MX","type":"education","lineage":["https://openalex.org/I200267027"]}],"countries":["MX"],"is_corresponding":true,"raw_author_name":"Erick Sierra-Campos","raw_affiliation_strings":["Facultad de Ciencias Qu\u00edmicas GP, Universidad Ju\u00e1rez del Estado de Durango, Av. Art\u00edculo 123 S/N Fracc. Filadelfia, Gomez Palacio 35010, Mexico"],"raw_orcid":"https://orcid.org/0000-0001-8622-4045","affiliations":[{"raw_affiliation_string":"Facultad de Ciencias Qu\u00edmicas GP, Universidad Ju\u00e1rez del Estado de Durango, Av. Art\u00edculo 123 S/N Fracc. Filadelfia, Gomez Palacio 35010, Mexico","institution_ids":["https://openalex.org/I200267027"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5030485223","display_name":"M\u00f3nica Andrea Valdez-Solana","orcid":"https://orcid.org/0000-0002-8665-7761","observed_orcids":["https://orcid.org/0000-0002-8665-7761"]},"institutions":[{"id":"https://openalex.org/I200267027","display_name":"Universidad Ju\u00e1rez del Estado de Durango","ror":"https://ror.org/02w0sqd02","country_code":"MX","type":"education","lineage":["https://openalex.org/I200267027"]}],"countries":["MX"],"is_corresponding":false,"raw_author_name":"M\u00f3nica A. Valdez-Solana","raw_affiliation_strings":["Facultad de Ciencias Qu\u00edmicas GP, Universidad Ju\u00e1rez del Estado de Durango, Av. Art\u00edculo 123 S/N Fracc. Filadelfia, Gomez Palacio 35010, Mexico"],"raw_orcid":"https://orcid.org/0000-0002-8665-7761","affiliations":[{"raw_affiliation_string":"Facultad de Ciencias Qu\u00edmicas GP, Universidad Ju\u00e1rez del Estado de Durango, Av. Art\u00edculo 123 S/N Fracc. Filadelfia, Gomez Palacio 35010, Mexico","institution_ids":["https://openalex.org/I200267027"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5088515053","display_name":"Estela Ruiz\u2010Baca","orcid":"https://orcid.org/0000-0003-1621-3505","observed_orcids":["https://orcid.org/0000-0003-1621-3505"]},"institutions":[{"id":"https://openalex.org/I200267027","display_name":"Universidad Ju\u00e1rez del Estado de Durango","ror":"https://ror.org/02w0sqd02","country_code":"MX","type":"education","lineage":["https://openalex.org/I200267027"]}],"countries":["MX"],"is_corresponding":false,"raw_author_name":"Estela Ruiz-Baca","raw_affiliation_strings":["Facultad de Ciencias Qu\u00edmicas, Universidad Ju\u00e1rez del Estado de Durango, Av. Veterinaria s/n. Circuito Universitario Col. Valle del sur, Durango 34120, Mexico"],"raw_orcid":"https://orcid.org/0000-0003-1621-3505","affiliations":[{"raw_affiliation_string":"Facultad de Ciencias Qu\u00edmicas, Universidad Ju\u00e1rez del Estado de Durango, Av. Veterinaria s/n. Circuito Universitario Col. Valle del sur, Durango 34120, Mexico","institution_ids":["https://openalex.org/I200267027"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5023485261","display_name":"Erica K. Ventura-Garc\u00eda","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I200267027","display_name":"Universidad Ju\u00e1rez del Estado de Durango","ror":"https://ror.org/02w0sqd02","country_code":"MX","type":"education","lineage":["https://openalex.org/I200267027"]}],"countries":["MX"],"is_corresponding":false,"raw_author_name":"Erica K. Ventura-Garc\u00eda","raw_affiliation_strings":["Facultad de Ciencias Qu\u00edmicas GP, Universidad Ju\u00e1rez del Estado de Durango, Av. Art\u00edculo 123 S/N Fracc. Filadelfia, Gomez Palacio 35010, Mexico"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Facultad de Ciencias Qu\u00edmicas GP, Universidad Ju\u00e1rez del Estado de Durango, Av. Art\u00edculo 123 S/N Fracc. Filadelfia, Gomez Palacio 35010, Mexico","institution_ids":["https://openalex.org/I200267027"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5047998499","display_name":"Claudia I. Avitia-Dom\u00ednguez","orcid":"https://orcid.org/0000-0002-1017-8609","observed_orcids":["https://orcid.org/0000-0002-1017-8609"]},"institutions":[{"id":"https://openalex.org/I200267027","display_name":"Universidad Ju\u00e1rez del Estado de Durango","ror":"https://ror.org/02w0sqd02","country_code":"MX","type":"education","lineage":["https://openalex.org/I200267027"]}],"countries":["MX"],"is_corresponding":false,"raw_author_name":"Claudia I. Avitia-Dom\u00ednguez","raw_affiliation_strings":["Facultad de Medicina y Nutrici\u00f3n, Universidad Ju\u00e1rez del Estado de Durango, Av. Universidad y Fanny Anit\u00faa S/N, Durango 34000, Mexico"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Facultad de Medicina y Nutrici\u00f3n, Universidad Ju\u00e1rez del Estado de Durango, Av. Universidad y Fanny Anit\u00faa S/N, Durango 34000, Mexico","institution_ids":["https://openalex.org/I200267027"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5074108339","display_name":"Miguel Aguilera-Ort\u00edz","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I200267027","display_name":"Universidad Ju\u00e1rez del Estado de Durango","ror":"https://ror.org/02w0sqd02","country_code":"MX","type":"education","lineage":["https://openalex.org/I200267027"]}],"countries":["MX"],"is_corresponding":false,"raw_author_name":"Miguel Aguilera-Ortiz","raw_affiliation_strings":["Facultad de Ciencias Qu\u00edmicas GP, Universidad Ju\u00e1rez del Estado de Durango, Av. Art\u00edculo 123 S/N Fracc. Filadelfia, Gomez Palacio 35010, Mexico"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Facultad de Ciencias Qu\u00edmicas GP, Universidad Ju\u00e1rez del Estado de Durango, Av. Art\u00edculo 123 S/N Fracc. Filadelfia, Gomez Palacio 35010, Mexico","institution_ids":["https://openalex.org/I200267027"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5044401843","display_name":"Alfredo T\u00e9llez\u2010Valencia","orcid":"https://orcid.org/0000-0001-7629-4111","observed_orcids":["https://orcid.org/0000-0001-7629-4111"]},"institutions":[{"id":"https://openalex.org/I200267027","display_name":"Universidad Ju\u00e1rez del Estado de Durango","ror":"https://ror.org/02w0sqd02","country_code":"MX","type":"education","lineage":["https://openalex.org/I200267027"]}],"countries":["MX"],"is_corresponding":false,"raw_author_name":"Alfredo T\u00e9llez-Valencia","raw_affiliation_strings":["Facultad de Medicina y Nutrici\u00f3n, Universidad Ju\u00e1rez del Estado de Durango, Av. Universidad y Fanny Anit\u00faa S/N, Durango 34000, Mexico"],"raw_orcid":"https://orcid.org/0000-0001-7629-4111","affiliations":[{"raw_affiliation_string":"Facultad de Medicina y Nutrici\u00f3n, Universidad Ju\u00e1rez del Estado de Durango, Av. Universidad y Fanny Anit\u00faa S/N, Durango 34000, Mexico","institution_ids":["https://openalex.org/I200267027"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5038219998"],"corresponding_institution_ids":["https://openalex.org/I200267027"],"apc_list":{"value":1000,"currency":"CHF","value_usd":1047},"apc_paid":{"value":1000,"currency":"CHF","value_usd":1047},"fwci":0.2605,"has_fulltext":true,"cited_by_count":2,"citation_normalized_percentile":{"value":0.45396761,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":93,"max":95},"biblio":{"volume":"90","issue":"4","first_page":"70","last_page":"70"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12721","display_name":"Moringa oleifera research and applications","score":0.9359999895095825,"subfield":{"id":"https://openalex.org/subfields/1110","display_name":"Plant 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"}},"topics":[{"id":"https://openalex.org/T12721","display_name":"Moringa oleifera research and applications","score":0.9359999895095825,"subfield":{"id":"https://openalex.org/subfields/1110","display_name":"Plant 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"}},{"id":"https://openalex.org/T10225","display_name":"Essential Oils and Antimicrobial Activity","score":0.0348999984562397,"subfield":{"id":"https://openalex.org/subfields/1106","display_name":"Food 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"}},{"id":"https://openalex.org/T11900","display_name":"Fungal Plant Pathogen Control","score":0.006300000008195639,"subfield":{"id":"https://openalex.org/subfields/1110","display_name":"Plant 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/sporothrix-schenckii","display_name":"Sporothrix schenckii","score":0.9929999709129333},{"id":"https://openalex.org/keywords/moringa-oleifera","display_name":"Moringa oleifera","score":0.9829999804496765},{"id":"https://openalex.org/keywords/glucosinolates","display_name":"glucosinolates","score":0.9729999899864197},{"id":"https://openalex.org/keywords/catalase-inhibition","display_name":"catalase inhibition","score":0.9549999833106995},{"id":"https://openalex.org/keywords/antifungal-activity","display_name":"antifungal activity","score":0.9350000023841858},{"id":"https://openalex.org/keywords/allosteric-site","display_name":"allosteric site","score":0.7179999947547913},{"id":"https://openalex.org/keywords/protein-ligand-docking","display_name":"protein-ligand docking","score":0.7580000162124634},{"id":"https://openalex.org/keywords/homology-modeling","display_name":"homology modeling","score":0.7990000247955322},{"id":"https://openalex.org/keywords/oxidative-stress-detoxification","display_name":"oxidative stress detoxification","score":0.7390000224113464},{"id":"https://openalex.org/keywords/cutaneous-sporotrichosis","display_name":"cutaneous sporotrichosis","score":0.7110000252723694},{"id":"https://openalex.org/keywords/natural-fungicides","display_name":"natural fungicides","score":0.8330000042915344}],"concepts":[{"id":"https://openalex.org/C2778979269","wikidata":"https://www.wikidata.org/wiki/Q106951292","display_name":"Catalase","level":3,"score":0.7540051341056824},{"id":"https://openalex.org/C2777250718","wikidata":"https://www.wikidata.org/wiki/Q2914796","display_name":"Sporothrix schenckii","level":3,"score":0.6312509775161743},{"id":"https://openalex.org/C2776836740","wikidata":"https://www.wikidata.org/wiki/Q310468","display_name":"Moringa","level":2,"score":0.6307762265205383},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5712609887123108},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.5178259015083313},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.4640347957611084},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.42048153281211853},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.36199623346328735},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.2742761969566345},{"id":"https://openalex.org/C31903555","wikidata":"https://www.wikidata.org/wiki/Q1637030","display_name":"Food science","level":1,"score":0.26120391488075256},{"id":"https://openalex.org/C2776872704","wikidata":"https://www.wikidata.org/wiki/Q767327","display_name":"Sporotrichosis","level":2,"score":0.07504549622535706},{"id":"https://openalex.org/C203014093","wikidata":"https://www.wikidata.org/wiki/Q101929","display_name":"Immunology","level":1,"score":0.0},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.3390/scipharm90040070","doi":"https://doi.org/10.3390/scipharm90040070","is_oa":true,"landing_page_url":"https://doi.org/10.3390/scipharm90040070","pdf_url":"https://www.mdpi.com/2218-0532/90/4/70/pdf?version=1667543651","source":{"id":"https://openalex.org/S70157725","display_name":"Scientia Pharmaceutica","issn_l":"0036-8709","issn":["0036-8709","2218-0532"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","norway-1","poland-40","russia-white-list-1"],"host_organization":"https://openalex.org/P4310317866","host_organization_name":"\u00d6sterreichische Apotheker-Verlagsgesellschaft m. b. H.","host_organization_lineage":["https://openalex.org/P4310317866"],"host_organization_lineage_names":["\u00d6sterreichische Apotheker-Verlagsgesellschaft m. b. H."],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Scientia Pharmaceutica","raw_type":"journal-article"},{"id":"pmh:oai:doaj.org/article:b81d0e7e17544e6fa83f7d0fca7a57b9","doi":null,"is_oa":true,"landing_page_url":"https://doaj.org/article/b81d0e7e17544e6fa83f7d0fca7a57b9","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"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":"repository"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Scientia Pharmaceutica, Vol 90, Iss 4, p 70 (2022)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.3390/scipharm90040070","doi":"https://doi.org/10.3390/scipharm90040070","is_oa":true,"landing_page_url":"https://doi.org/10.3390/scipharm90040070","pdf_url":"https://www.mdpi.com/2218-0532/90/4/70/pdf?version=1667543651","source":{"id":"https://openalex.org/S70157725","display_name":"Scientia Pharmaceutica","issn_l":"0036-8709","issn":["0036-8709","2218-0532"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","norway-1","poland-40","russia-white-list-1"],"host_organization":"https://openalex.org/P4310317866","host_organization_name":"\u00d6sterreichische Apotheker-Verlagsgesellschaft m. b. H.","host_organization_lineage":["https://openalex.org/P4310317866"],"host_organization_lineage_names":["\u00d6sterreichische Apotheker-Verlagsgesellschaft m. b. H."],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Scientia Pharmaceutica","raw_type":"journal-article"},"sustainable_development_goals":[{"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3","score":0.46810001134872437}],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320322724","display_name":"Ministry of Education, India","ror":"https://ror.org/048xjjh50"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4308332634.pdf","grobid_xml":"https://content.openalex.org/works/W4308332634.grobid-xml"},"referenced_works_count":39,"referenced_works":["https://openalex.org/W172942410","https://openalex.org/W191793640","https://openalex.org/W1508052519","https://openalex.org/W1547006808","https://openalex.org/W1772552589","https://openalex.org/W1775749144","https://openalex.org/W2008655265","https://openalex.org/W2013025654","https://openalex.org/W2020953719","https://openalex.org/W2053152351","https://openalex.org/W2061859855","https://openalex.org/W2072268979","https://openalex.org/W2080707979","https://openalex.org/W2093819551","https://openalex.org/W2098054235","https://openalex.org/W2101286528","https://openalex.org/W2149525061","https://openalex.org/W2151460035","https://openalex.org/W2204552060","https://openalex.org/W2279923506","https://openalex.org/W2398478519","https://openalex.org/W2518879474","https://openalex.org/W2741869522","https://openalex.org/W2804822363","https://openalex.org/W2896912967","https://openalex.org/W2903507263","https://openalex.org/W2915338872","https://openalex.org/W2947030266","https://openalex.org/W2950112481","https://openalex.org/W2951439292","https://openalex.org/W2955341169","https://openalex.org/W2992152666","https://openalex.org/W3036674808","https://openalex.org/W3048909697","https://openalex.org/W3092750903","https://openalex.org/W3101411380","https://openalex.org/W3172656319","https://openalex.org/W3212359420","https://openalex.org/W4210829608"],"related_works":["https://openalex.org/W7202253773","https://openalex.org/W1525190413","https://openalex.org/W3042269594","https://openalex.org/W2155364633","https://openalex.org/W2015472776","https://openalex.org/W2741869522","https://openalex.org/W4390637658","https://openalex.org/W2184595696","https://openalex.org/W7036359136","https://openalex.org/W3120739198"],"abstract_inverted_index":{"Most":[0],"human":[1],"fungal":[2],"infections":[3],"exhibit":[4],"significant":[5],"defensive":[6],"oxidative":[7],"stress":[8],"responses,":[9],"which":[10],"contribute":[11],"to":[12,121,174,208,224,253],"their":[13],"pathogenicity.":[14],"An":[15],"important":[16],"component":[17],"of":[18,24,36,39,109,141,236,250,263],"these":[19],"reactions":[20],"is":[21,137],"the":[22,33,87,110,159,261,279],"activation":[23],"catalase":[25,104,117],"for":[26,64,103,125,130,269],"detoxification.":[27],"To":[28],"discover":[29],"new":[30],"antifungal":[31,34],"chemicals,":[32],"activity":[35,55],"methanol":[37],"extracts":[38,100],"Moringa":[40],"oleifera":[41,98,112,188,245],"from":[42,154,243],"two":[43,198],"commercial":[44],"products":[45],"(Akuanandi":[46],"and":[47,69,81,92,127,157,168,181,202,218,230,271],"Mas":[48],"Lait)":[49],"was":[50,59,119,143,163],"investigated.":[51],"The":[52,74,106,139,183,212,234],"methanolic":[53,99],"extracts\u2019":[54],"against":[56,114],"Sporothrix":[57],"schenckii":[58,116,256],"determined":[60],"using":[61,150,166,178],"an":[62,146],"assay":[63],"minimum":[65,70],"inhibitory":[66],"concentration":[67,72],"(MIC)":[68],"lethal":[71],"(MLC).":[73],"MIC":[75,89],"concentrations":[76],"varied":[77],"between":[78],"0.5":[79],"\u03bcg/mL":[80,124,129],"8":[82],"\u03bcg/mL.":[83],"Akuanandi":[84],"extract":[85,113],"had":[86],"lowest":[88],"(0.5":[90],"\u03bcg/mL)":[91,95],"MLC":[93],"(1":[94],"values.":[96],"M.":[97,111,187,244],"were":[101,172],"tested":[102],"inhibition.":[105],"Ki":[107],"values":[108],"S.":[115,255],"(SsCAT)":[118],"found":[120],"be":[122,247,267],"0.7":[123],"MOE-AK":[126],"0.08":[128],"MOE-ML.":[131],"Catalase\u2019s":[132],"3D":[133,152,161],"structure":[134,153,162],"in":[135,147,278],"SsCAT":[136,142,225],"unknown.":[138],"homology":[140],"modeled":[144],"with":[145,191,204,221],"silico":[148],"study":[149,238],"a":[151],"SWISS":[155],"MODEL":[156],"validation":[158],"predicted":[160],"carried":[164],"out":[165],"PROCHECK":[167],"MolProbity.":[169],"Docking":[170],"simulations":[171],"used":[173,248],"analyze":[175],"protein":[176],"interactions":[177],"Pymol,":[179],"PoseView,":[180],"PLIP.":[182],"results":[184],"revealed":[185,197,215],"that":[186,216,240,260],"glucosinolates":[189,241],"interacts":[190],"SsCAT.":[192],"A":[193],"molecular":[194],"interaction":[195],"analysis":[196],"inhibitor":[199],"compounds":[200],"(glucosinalbin":[201],"glucomoringin)":[203],"high":[205,222],"binding":[206,213],"affinity":[207,223],"key":[209],"allosteric-site":[210],"residues.":[211],"energies":[214],"glucosinalbin":[217],"glucomoringin":[219],"bind":[220],"(docking":[226],"energy":[227],"values:":[228],"\u22129.8":[229],"\u22129.0":[231],"kcal/mol,":[232],"respectively).":[233],"findings":[235,262],"this":[237,264],"suggest":[239],"derived":[242],"could":[246],"instead":[249],"synthetic":[251],"fungicides":[252],"control":[254],"infections.":[257],"We":[258],"hope":[259],"work":[265],"will":[266],"valuable":[268],"developing":[270],"testing":[272],"novel":[273],"natural":[274],"anti-sporothrix":[275],"therapeutic":[276],"agents":[277],"future.":[280]},"counts_by_year":[{"year":2025,"cited_by_count":2}],"updated_date":"2026-11-14T11:04:58.165337","created_date":"2022-11-11T00:00:00"}