{"id":"https://openalex.org/W4307883124","doi":"https://doi.org/10.12688/f1000research.127126.1","title":"The computationally predicted drug-likeness, pharmacokinetics properties, medicinal chemistry parameters, and toxicity properties of Cucurbita maxima compounds.","display_name":"The computationally predicted drug-likeness, pharmacokinetics properties, medicinal chemistry parameters, and toxicity properties of Cucurbita maxima compounds.","publication_year":2022,"publication_date":"2022-10-31","ids":{"openalex":"https://openalex.org/W4307883124","doi":"https://doi.org/10.12688/f1000research.127126.1","pmid":"https://pubmed.ncbi.nlm.nih.gov/38690404","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/11058453"},"language":"en","primary_location":{"id":"doi:10.12688/f1000research.127126.1","doi":"https://doi.org/10.12688/f1000research.127126.1","is_oa":true,"landing_page_url":"https://doi.org/10.12688/f1000research.127126.1","pdf_url":null,"source":{"id":"https://openalex.org/S4210239046","display_name":"F1000Research","issn_l":"2046-1402","issn":["2046-1402"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-scientific","cwts-core","doaj","jufo-1","ki-jl-1","medline","norway-1","oarl","poland-70","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320357","host_organization_name":"Faculty of 1000","host_organization_lineage":["https://openalex.org/P4310320357","https://openalex.org/P4310320547"],"host_organization_lineage_names":["Faculty of 1000","Taylor & Francis"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"F1000Research","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://doi.org/10.12688/f1000research.127126.1","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5043952871","display_name":"Ryman Shoko","orcid":"https://orcid.org/0000-0002-1557-1696","observed_orcids":["https://orcid.org/0000-0002-1557-1696"]},"institutions":[{"id":"https://openalex.org/I121645547","display_name":"Chinhoyi University of Technology","ror":"https://ror.org/005f4y685","country_code":"ZW","type":"education","lineage":["https://openalex.org/I121645547"]}],"countries":["ZW"],"is_corresponding":true,"raw_author_name":"Ryman Shoko","raw_affiliation_strings":["Biology, Chinhoyi University of Technology, Chinhoyi, Zimbabwe","Biology, Chinhoyi University of Technology, Chinhoyi"],"raw_orcid":"https://orcid.org/0000-0002-1557-1696","affiliations":[{"raw_affiliation_string":"Biology, Chinhoyi University of Technology, Chinhoyi, Zimbabwe","institution_ids":["https://openalex.org/I121645547"]},{"raw_affiliation_string":"Biology, Chinhoyi University of Technology, Chinhoyi","institution_ids":["https://openalex.org/I121645547"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5043952871"],"corresponding_institution_ids":["https://openalex.org/I121645547"],"apc_list":{"value":1350,"currency":"USD","value_usd":1350},"apc_paid":{"value":1350,"currency":"USD","value_usd":1350},"fwci":0.0,"has_fulltext":true,"cited_by_count":1,"citation_normalized_percentile":{"value":0.0,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":95},"biblio":{"volume":"11","issue":null,"first_page":"1234","last_page":"1234"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9961000084877014,"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"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9961000084877014,"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/T12370","display_name":"Advances in Cucurbitaceae Research","score":0.0006000000284984708,"subfield":{"id":"https://openalex.org/subfields/1311","display_name":"Genetics"},"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/T14521","display_name":"Medicinal Plant Research","score":0.00039999998989515007,"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/cucurbita-maxima","display_name":"Cucurbita maxima","score":1.0},{"id":"https://openalex.org/keywords/drug-likeness","display_name":"drug-likeness","score":0.7699999809265137},{"id":"https://openalex.org/keywords/pharmacokinetics","display_name":"pharmacokinetics","score":0.7699999809265137},{"id":"https://openalex.org/keywords/adme-prediction","display_name":"ADME prediction","score":0.7260000109672546},{"id":"https://openalex.org/keywords/toxicity-assessment","display_name":"toxicity prediction","score":0.8330000042915344},{"id":"https://openalex.org/keywords/natural-products","display_name":"natural products","score":0.8669999837875366},{"id":"https://openalex.org/keywords/drug-leads","display_name":"drug leads","score":0.8080000281333923},{"id":"https://openalex.org/keywords/swissadme","display_name":"SwissADME","score":0.8600000143051147}],"concepts":[{"id":"https://openalex.org/C2781186446","wikidata":"https://www.wikidata.org/wiki/Q161180","display_name":"Cucurbita maxima","level":2,"score":0.799686074256897},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.5439313650131226},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.4688457250595093},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.4592883288860321},{"id":"https://openalex.org/C68762167","wikidata":"https://www.wikidata.org/wiki/Q910164","display_name":"Cheminformatics","level":2,"score":0.4569438397884369},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3836649954319},{"id":"https://openalex.org/C183696295","wikidata":"https://www.wikidata.org/wiki/Q2487696","display_name":"Biochemical engineering","level":1,"score":0.3759458661079407},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.3067139983177185},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.29249307513237},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.28567564487457275},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.231794536113739},{"id":"https://openalex.org/C59822182","wikidata":"https://www.wikidata.org/wiki/Q441","display_name":"Botany","level":1,"score":0.14849698543548584},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.10129109025001526}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.12688/f1000research.127126.1","doi":"https://doi.org/10.12688/f1000research.127126.1","is_oa":true,"landing_page_url":"https://doi.org/10.12688/f1000research.127126.1","pdf_url":null,"source":{"id":"https://openalex.org/S4210239046","display_name":"F1000Research","issn_l":"2046-1402","issn":["2046-1402"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-scientific","cwts-core","doaj","jufo-1","ki-jl-1","medline","norway-1","oarl","poland-70","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320357","host_organization_name":"Faculty of 1000","host_organization_lineage":["https://openalex.org/P4310320357","https://openalex.org/P4310320547"],"host_organization_lineage_names":["Faculty of 1000","Taylor & Francis"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"F1000Research","raw_type":"journal-article"},{"id":"pmh:oai:pubmedcentral.nih.gov:11058453","doi":null,"is_oa":true,"landing_page_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC11058453/","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC11058453/pdf/","source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"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":"public-domain","license_id":"https://openalex.org/licenses/public-domain","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"F1000Res","raw_type":"Text"},{"id":"pmid:38690404","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/38690404","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":"F1000Research","raw_type":"Journal Article"},{"id":"pmh:oai:doaj.org/article:8aa1f6d835b243abac579f7f845b4d63","doi":null,"is_oa":false,"landing_page_url":"https://doaj.org/article/8aa1f6d835b243abac579f7f845b4d63","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":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"F1000Research, Vol 11 (2022)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.12688/f1000research.127126.1","doi":"https://doi.org/10.12688/f1000research.127126.1","is_oa":true,"landing_page_url":"https://doi.org/10.12688/f1000research.127126.1","pdf_url":null,"source":{"id":"https://openalex.org/S4210239046","display_name":"F1000Research","issn_l":"2046-1402","issn":["2046-1402"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-scientific","cwts-core","doaj","jufo-1","ki-jl-1","medline","norway-1","oarl","poland-70","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320357","host_organization_name":"Faculty of 1000","host_organization_lineage":["https://openalex.org/P4310320357","https://openalex.org/P4310320547"],"host_organization_lineage_names":["Faculty of 1000","Taylor & Francis"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"F1000Research","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/W4307883124.pdf","grobid_xml":"https://content.openalex.org/works/W4307883124.grobid-xml"},"referenced_works_count":20,"referenced_works":["https://openalex.org/W1912388982","https://openalex.org/W1971849220","https://openalex.org/W2072285420","https://openalex.org/W2108483473","https://openalex.org/W2135732933","https://openalex.org/W2170719827","https://openalex.org/W2336829820","https://openalex.org/W2593436234","https://openalex.org/W2902075485","https://openalex.org/W2917626761","https://openalex.org/W2956635503","https://openalex.org/W2969620406","https://openalex.org/W3118695441","https://openalex.org/W3127018368","https://openalex.org/W3150981565","https://openalex.org/W4242372416","https://openalex.org/W4248107770","https://openalex.org/W4289524482","https://openalex.org/W4386285224","https://openalex.org/W4398262126"],"related_works":["https://openalex.org/W7097238014","https://openalex.org/W2111163322","https://openalex.org/W4317555546","https://openalex.org/W4411604418","https://openalex.org/W7167616613","https://openalex.org/W2171563455","https://openalex.org/W4313406433","https://openalex.org/W4391075964","https://openalex.org/W3084491916","https://openalex.org/W2945546295"],"abstract_inverted_index":{"Natural":[0],"compounds":[1,38,53,78],"are":[2],"increasingly":[3],"becoming":[4],"an":[5],"important":[6],"source":[7,31],"of":[8,32,88],"drug":[9,13,34,84,116],"leads":[10,117],"for":[11,45,56,79,114],"computer-aided":[12],"design":[14],"approaches.":[15],"Cucurbita":[16],"maxima":[17,77],"has":[18],"been":[19],"observed":[20],"to":[21,74,111],"have":[22],"medicinal":[23],"properties":[24],"and":[25,59,70],"can,":[26],"therefore,":[27],"be":[28,40,54,109],"a":[29],"potential":[30,81],"novel":[33,115],"leads.":[35,85],"However,":[36],"before":[37],"can":[39],"synthesized":[41],"in":[42,105],"the":[43,51,66,93],"lab":[44],"tests,":[46],"modern":[47],"approaches":[48],"require":[49],"that":[50],"candidate":[52],"screened":[55],"drug-likeness":[57],"characteristics":[58],"toxicity,":[60],"among":[61],"others.":[62],"In":[63],"this":[64,106],"work,":[65],"computational":[67],"tools,":[68],"SwissADME":[69],"DataWarrior":[71],"were":[72,98],"used":[73],"screen":[75],"C.":[76],"their":[80],"consideration":[82],"as":[83],"A":[86],"total":[87],"130":[89],"compounds,":[90],"downloaded":[91],"from":[92],"LOTUS":[94],"natural":[95,120],"products":[96],"database,":[97],"computationally":[99],"analysed.":[100],"The":[101],"data":[102],"set":[103],"presented":[104],"work":[107],"will":[108],"useful":[110],"researchers":[112],"searching":[113],"based":[118],"on":[119],"compounds.":[121]},"counts_by_year":[{"year":2026,"cited_by_count":1}],"updated_date":"2026-11-11T12:16:26.678958","created_date":"2022-11-06T00:00:00"}