{"id":"https://openalex.org/W7220650899","doi":"https://doi.org/10.1002/open.70312","title":"Elucidating the MultiPathway Therapeutic Potential of Trichosanthes kirilowii Bioactives in Intestinal Obstruction via Network Pharmacology and Molecular Dynamics","display_name":"Elucidating the MultiPathway Therapeutic Potential of Trichosanthes kirilowii Bioactives in Intestinal Obstruction via Network Pharmacology and Molecular Dynamics","publication_year":2026,"publication_date":"2026-10-01","ids":{"openalex":"https://openalex.org/W7220650899","doi":"https://doi.org/10.1002/open.70312","pmid":"https://pubmed.ncbi.nlm.nih.gov/42834513","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/13639117"},"language":"en","primary_location":{"id":"doi:10.1002/open.70312","doi":"https://doi.org/10.1002/open.70312","is_oa":true,"landing_page_url":"https://doi.org/10.1002/open.70312","pdf_url":"https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/open.70312","source":{"id":"https://openalex.org/S2488117985","display_name":"ChemistryOpen","issn_l":"2191-1363","issn":["2191-1363"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","dongbi-d","jufo-1","ki-jl-1","medline","norway-1","oarl","poland-70","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310321151","host_organization_name":"WileyOpen","host_organization_lineage":["https://openalex.org/P4310321151","https://openalex.org/P4310320595"],"host_organization_lineage_names":["WileyOpen","Wiley"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ChemistryOpen","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/open.70312","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5003909272","display_name":"Tianying Wu","orcid":"https://orcid.org/0000-0002-9775-9595","observed_orcids":["https://orcid.org/0000-0002-9775-9595"]},"institutions":[{"id":"https://openalex.org/I129708740","display_name":"Fujian Medical University","ror":"https://ror.org/050s6ns64","country_code":"CN","type":"education","lineage":["https://openalex.org/I129708740"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Tianying Wu","raw_affiliation_strings":["Department of Traditional Chinese Medicine Zhangzhou Affiliated Hospital of Fujian Medical University  Zhangzhou China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Traditional Chinese Medicine Zhangzhou Affiliated Hospital of Fujian Medical University  Zhangzhou China","institution_ids":["https://openalex.org/I129708740"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5133631423","display_name":"Xiaofen Lin","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I129708740","display_name":"Fujian Medical University","ror":"https://ror.org/050s6ns64","country_code":"CN","type":"education","lineage":["https://openalex.org/I129708740"]},{"id":"https://openalex.org/I4210103620","display_name":"Zhangzhou Municipal Hospital of Fujian Province","ror":"https://ror.org/01cny4f98","country_code":"CN","type":"healthcare","lineage":["https://openalex.org/I4210103620"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xiaofen Lin","raw_affiliation_strings":["Department of Geriatrics Zhangzhou Affiliated Hospital of Fujian Medical University  Zhangzhou China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Geriatrics Zhangzhou Affiliated Hospital of Fujian Medical University  Zhangzhou China","institution_ids":["https://openalex.org/I129708740","https://openalex.org/I4210103620"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5041411988","display_name":"Weihua Lin","orcid":"https://orcid.org/0000-0002-7415-2758","observed_orcids":["https://orcid.org/0000-0002-7415-2758"]},"institutions":[{"id":"https://openalex.org/I129708740","display_name":"Fujian Medical University","ror":"https://ror.org/050s6ns64","country_code":"CN","type":"education","lineage":["https://openalex.org/I129708740"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Wencong Lin","raw_affiliation_strings":["Department of Oncology Zhangzhou Affiliated Hospital of Fujian Medical University  Zhangzhou China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Oncology Zhangzhou Affiliated Hospital of Fujian Medical University  Zhangzhou China","institution_ids":["https://openalex.org/I129708740"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5157752322","display_name":"Lixia Huang","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I129708740","display_name":"Fujian Medical University","ror":"https://ror.org/050s6ns64","country_code":"CN","type":"education","lineage":["https://openalex.org/I129708740"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Lixia Huang","raw_affiliation_strings":["Department of Nuclear Medicine Zhangzhou Affiliated Hospital of Fujian Medical University  Zhangzhou China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Nuclear Medicine Zhangzhou Affiliated Hospital of Fujian Medical University  Zhangzhou China","institution_ids":["https://openalex.org/I129708740"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5157663594","display_name":"Yuewu Lin","orcid":"https://orcid.org/0009-0004-2157-2005","observed_orcids":["https://orcid.org/0009-0004-2157-2005"]},"institutions":[{"id":"https://openalex.org/I129708740","display_name":"Fujian Medical University","ror":"https://ror.org/050s6ns64","country_code":"CN","type":"education","lineage":["https://openalex.org/I129708740"]},{"id":"https://openalex.org/I4210103620","display_name":"Zhangzhou Municipal Hospital of Fujian Province","ror":"https://ror.org/01cny4f98","country_code":"CN","type":"healthcare","lineage":["https://openalex.org/I4210103620"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Yuewu Lin","raw_affiliation_strings":["Department of Geriatrics Zhangzhou Affiliated Hospital of Fujian Medical University  Zhangzhou China"],"raw_orcid":"https://orcid.org/0009-0004-2157-2005","affiliations":[{"raw_affiliation_string":"Department of Geriatrics Zhangzhou Affiliated Hospital of Fujian Medical University  Zhangzhou China","institution_ids":["https://openalex.org/I129708740","https://openalex.org/I4210103620"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5157663594"],"corresponding_institution_ids":["https://openalex.org/I129708740","https://openalex.org/I4210103620"],"apc_list":{"value":2790,"currency":"USD","value_usd":2790},"apc_paid":{"value":2790,"currency":"USD","value_usd":2790},"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.77560104,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"15","issue":"10","first_page":"e70312","last_page":"e70312"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9976000189781189,"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"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9976000189781189,"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/T11709","display_name":"Traditional Chinese Medicine Analysis","score":0.0008999999845400453,"subfield":{"id":"https://openalex.org/subfields/2707","display_name":"Complementary and alternative medicine"},"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/T13026","display_name":"Natural Compounds in Disease Treatment","score":0.00039999998989515007,"subfield":{"id":"https://openalex.org/subfields/2707","display_name":"Complementary and alternative medicine"},"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/trichosanthes-kirilowii","display_name":"Trichosanthes kirilowii","score":1.0},{"id":"https://openalex.org/keywords/intestinal-obstruction","display_name":"intestinal obstruction","score":0.9919999837875366},{"id":"https://openalex.org/keywords/cucurbitacin-b","display_name":"cucurbitacin B","score":0.7630000114440918},{"id":"https://openalex.org/keywords/cucurbitacin-d","display_name":"cucurbitacin D","score":0.9449999928474426},{"id":"https://openalex.org/keywords/stigmasterol-glycoside","display_name":"stigmasterol glycoside","score":0.7630000114440918},{"id":"https://openalex.org/keywords/multitarget-drug-candidates","display_name":"multi-target drug candidates","score":0.7049999833106995},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.5770000219345093},{"id":"https://openalex.org/keywords/mm-gbsa-binding-free-energy","display_name":"MM-GBSA binding free energy","score":0.8209999799728394},{"id":"https://openalex.org/keywords/tnfr1","display_name":"TNFR1","score":0.4860000014305115},{"id":"https://openalex.org/keywords/interleukin-6","display_name":"interleukin-6","score":0.7300000190734863},{"id":"https://openalex.org/keywords/c-myc","display_name":"c-Myc","score":0.7910000085830688},{"id":"https://openalex.org/keywords/cyclooxygenase-2","display_name":"cyclooxygenase-2","score":0.9129999876022339},{"id":"https://openalex.org/keywords/akt1","display_name":"AKT1","score":0.8920000195503235},{"id":"https://openalex.org/keywords/beta-actin","display_name":"beta-actin","score":0.5580000281333923}],"concepts":[{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.7023000121116638},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6327000260353088},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.4959000051021576},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.47679999470710754},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.39640000462532043},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.37220001220703125},{"id":"https://openalex.org/C1491633281","wikidata":"https://www.wikidata.org/wiki/Q7868","display_name":"Cell","level":2,"score":0.29660001397132874},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.2939999997615814},{"id":"https://openalex.org/C164923092","wikidata":"https://www.wikidata.org/wiki/Q3705921","display_name":"Molecular descriptor","level":3,"score":0.2888999879360199},{"id":"https://openalex.org/C515207424","wikidata":"https://www.wikidata.org/wiki/Q8066","display_name":"Amino acid","level":2,"score":0.2806999981403351},{"id":"https://openalex.org/C3019368612","wikidata":"https://www.wikidata.org/wiki/Q17154506","display_name":"Intestinal mucosa","level":2,"score":0.2718999981880188},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.2718000113964081},{"id":"https://openalex.org/C53105671","wikidata":"https://www.wikidata.org/wiki/Q14777816","display_name":"Rational design","level":2,"score":0.2630999982357025},{"id":"https://openalex.org/C64903051","wikidata":"https://www.wikidata.org/wiki/Q2198549","display_name":"Drug development","level":3,"score":0.2630000114440918},{"id":"https://openalex.org/C2777468819","wikidata":"https://www.wikidata.org/wiki/Q173670","display_name":"Arginine","level":3,"score":0.2612000107765198},{"id":"https://openalex.org/C137738243","wikidata":"https://www.wikidata.org/wiki/Q189092","display_name":"Cell migration","level":3,"score":0.258899986743927},{"id":"https://openalex.org/C13935069","wikidata":"https://www.wikidata.org/wiki/Q2157266","display_name":"Oligopeptide","level":3,"score":0.2542000114917755},{"id":"https://openalex.org/C2994376932","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Amino acid residue","level":4,"score":0.2508000135421753}],"mesh":[{"descriptor_ui":"D000091484","descriptor_name":"Network Pharmacology","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":"D029778","descriptor_name":"Trichosanthes","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D029778","descriptor_name":"Trichosanthes","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":4,"locations":[{"id":"doi:10.1002/open.70312","doi":"https://doi.org/10.1002/open.70312","is_oa":true,"landing_page_url":"https://doi.org/10.1002/open.70312","pdf_url":"https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/open.70312","source":{"id":"https://openalex.org/S2488117985","display_name":"ChemistryOpen","issn_l":"2191-1363","issn":["2191-1363"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","dongbi-d","jufo-1","ki-jl-1","medline","norway-1","oarl","poland-70","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310321151","host_organization_name":"WileyOpen","host_organization_lineage":["https://openalex.org/P4310321151","https://openalex.org/P4310320595"],"host_organization_lineage_names":["WileyOpen","Wiley"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ChemistryOpen","raw_type":"journal-article"},{"id":"pmid:42834513","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/42834513","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":"ChemistryOpen","raw_type":"Journal Article"},{"id":"pmh:oai:pubmedcentral.nih.gov:13639117","doi":null,"is_oa":true,"landing_page_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC13639117/","pdf_url":null,"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ChemistryOpen","raw_type":"Text"},{"id":"pmh:oai:doaj.org/article:3faab5626ad04ea694ddead14adf4a54","doi":null,"is_oa":false,"landing_page_url":"https://doaj.org/article/3faab5626ad04ea694ddead14adf4a54","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":"ChemistryOpen, Vol 15, Iss 10, Pp n/a-n/a (2026)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.1002/open.70312","doi":"https://doi.org/10.1002/open.70312","is_oa":true,"landing_page_url":"https://doi.org/10.1002/open.70312","pdf_url":"https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/open.70312","source":{"id":"https://openalex.org/S2488117985","display_name":"ChemistryOpen","issn_l":"2191-1363","issn":["2191-1363"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","dongbi-d","jufo-1","ki-jl-1","medline","norway-1","oarl","poland-70","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310321151","host_organization_name":"WileyOpen","host_organization_lineage":["https://openalex.org/P4310321151","https://openalex.org/P4310320595"],"host_organization_lineage_names":["WileyOpen","Wiley"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ChemistryOpen","raw_type":"journal-article"},"sustainable_development_goals":[{"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3","score":0.8048999905586243}],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7220650899.pdf","grobid_xml":"https://content.openalex.org/works/W7220650899.grobid-xml"},"referenced_works_count":20,"referenced_works":["https://openalex.org/W1999151102","https://openalex.org/W2033286476","https://openalex.org/W2035618305","https://openalex.org/W2103912979","https://openalex.org/W2122751039","https://openalex.org/W2146980885","https://openalex.org/W2162151166","https://openalex.org/W2410911390","https://openalex.org/W2900569176","https://openalex.org/W2925906580","https://openalex.org/W2950595506","https://openalex.org/W3109233868","https://openalex.org/W4309506674","https://openalex.org/W4361216772","https://openalex.org/W4393133489","https://openalex.org/W4394620877","https://openalex.org/W4396672487","https://openalex.org/W4402577517","https://openalex.org/W4407175527","https://openalex.org/W4414430557"],"related_works":["https://openalex.org/W4388935804","https://openalex.org/W4285740472","https://openalex.org/W7160195003","https://openalex.org/W4396789628","https://openalex.org/W4409331393","https://openalex.org/W4415630380","https://openalex.org/W4392854567","https://openalex.org/W7154484951","https://openalex.org/W4402428733","https://openalex.org/W4380683617"],"abstract_inverted_index":{"Intestinal":[0],"obstruction":[1],"(IO)":[2],"disrupts":[3],"normal":[4],"intestinal":[5],"transit":[6],"and":[7,12,31,37,46,66,90,110,121,125],"involves":[8],"dysmotility,":[9],"mucosal":[10],"stress,":[11],"inflammation.":[13],"This":[14],"computational":[15],"workflow":[16],"evaluated":[17,128],"a":[18,24,50,61,136],"10\u2010compound":[19],"Trichosanthes":[20],"kirilowii":[21],"docking":[22,29],"panel,":[23],"filtered":[25],"disease\u2010target":[26],"set,":[27,65],"MOE":[28,34],"validation,":[30],"100":[32],"ns":[33],"molecular":[35],"dynamics":[36],"MM/GBSA":[38],"endpoint":[39],"analyses.":[40],"GeneCards":[41],"filtering":[42],"(relevance":[43],">=":[44],"10)":[45],"OMIM":[47],"curation":[48],"yielded":[49],"primary":[51],"disease":[52],"union":[53],"of":[54],"756":[55],"genes;":[56],"31":[57],"targets":[58],"overlapped":[59],"with":[60],"broadened":[62],"203\u2010target":[63],"herb\u2010associated":[64],"the":[67],"overlap":[68],"was":[69],"significant":[70],"by":[71,103],"hypergeometric":[72],"testing":[73],"(":[74],"p":[75],"=":[76],"6.38":[77],"\u00d7":[78],"10":[79],"\u221211":[80],").":[81],"Docking":[82],"across":[83],"ACTB,":[84,117],"AKT1,":[85,118],"ALB,":[86,119],"IL6,":[87],"MYC,":[88],"PTGS2,":[89,120],"TNFR1/TNFRSF1A":[91],"showed":[92],"strongest":[93],"overall":[94],"performance":[95],"for":[96,116],"\u03b2\u2010D\u2010glucopyranosyl\u2010\u03b1\u2010spinasterol":[97],"(mean":[98],"score":[99],"\u22128.19":[100],"kcal/mol),":[101],"followed":[102],"Stigmast\u20107\u2010en\u20103\u03b2\u2010ol":[104],"3\u2010O\u2010\u03b2\u2010D\u2010glucopyranoside,":[105],"Cucurbitacin":[106,111],"B,":[107],"Bryonolic":[108],"acid,":[109],"D.":[112],"Redocking":[113],"validation":[114],"passed":[115],"TNFR1,":[122],"while":[123],"IL6":[124],"MYC":[126],"were":[127],"using":[129],"alternative":[130],"site":[131],"validation.":[132],"These":[133],"results":[134],"support":[135],"multicompound,":[137],"multitarget":[138],"hypothesis":[139],"requiring":[140],"experimental":[141],"confirmation.":[142]},"counts_by_year":[],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2026-10-07T00:00:00"}
