{"id":"https://openalex.org/W4391256757","doi":"https://doi.org/10.1016/j.prmcm.2024.100373","title":"Mechanistic investigation of quercetin in the management of diabetic foot ulcer by network pharmacology and molecular docking","display_name":"Mechanistic investigation of quercetin in the management of diabetic foot ulcer by network pharmacology and molecular docking","publication_year":2024,"publication_date":"2024-01-26","ids":{"openalex":"https://openalex.org/W4391256757","doi":"https://doi.org/10.1016/j.prmcm.2024.100373"},"language":"en","primary_location":{"id":"doi:10.1016/j.prmcm.2024.100373","doi":"https://doi.org/10.1016/j.prmcm.2024.100373","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.prmcm.2024.100373","pdf_url":null,"source":{"id":"https://openalex.org/S4210232177","display_name":"Pharmacological Research - Modern Chinese Medicine","issn_l":"2667-1425","issn":["2667-1425"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","poland-20"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Pharmacological Research - Modern Chinese Medicine","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://doi.org/10.1016/j.prmcm.2024.100373","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5102607431","display_name":"Riya Singla","orcid":"https://orcid.org/0009-0000-4925-7964","observed_orcids":["https://orcid.org/0009-0000-4925-7964"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Riya Singla","raw_affiliation_strings":["Ch. Devi Lal College of Pharmacy, Jagadhri, Haryana, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Ch. Devi Lal College of Pharmacy, Jagadhri, Haryana, India","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5024976019","display_name":"Sonia Kamboj","orcid":"https://orcid.org/0000-0002-2969-4910","observed_orcids":["https://orcid.org/0000-0002-2969-4910"]},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Sonia Kamboj","raw_affiliation_strings":["Ch. Devi Lal College of Pharmacy, Jagadhri, Haryana, India"],"raw_orcid":"https://orcid.org/0000-0002-2969-4910","affiliations":[{"raw_affiliation_string":"Ch. Devi Lal College of Pharmacy, Jagadhri, Haryana, India","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5001658856","display_name":"Jasmine Chaudhary","orcid":"https://orcid.org/0000-0001-6974-4890","observed_orcids":["https://orcid.org/0000-0001-6974-4890"]},"institutions":[{"id":"https://openalex.org/I155284866","display_name":"Maharishi Markandeshwar University, Mullana","ror":"https://ror.org/013qfkw58","country_code":"IN","type":"education","lineage":["https://openalex.org/I155284866"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Jasmine Chaudhary","raw_affiliation_strings":["Maharishi Markandeshwar College of Pharmacy, Maharishi Markandeshwar (Deemed to be university), Mullana, Ambala, Haryana, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Maharishi Markandeshwar College of Pharmacy, Maharishi Markandeshwar (Deemed to be university), Mullana, Ambala, Haryana, India","institution_ids":["https://openalex.org/I155284866"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5000924279","display_name":"Randhir Singh","orcid":"https://orcid.org/0000-0003-0183-0797","observed_orcids":["https://orcid.org/0000-0003-0183-0797"]},"institutions":[{"id":"https://openalex.org/I114724429","display_name":"Central University of Punjab","ror":"https://ror.org/02kknsa06","country_code":"IN","type":"education","lineage":["https://openalex.org/I114724429"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Randhir Singh","raw_affiliation_strings":["Department of Pharmacology, Central University of Punjab, Bathinda, 151001"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmacology, Central University of Punjab, Bathinda, 151001","institution_ids":["https://openalex.org/I114724429"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5024976019"],"corresponding_institution_ids":[],"apc_list":{"value":1300,"currency":"USD","value_usd":1300},"apc_paid":{"value":1300,"currency":"USD","value_usd":1300},"fwci":1.6775,"has_fulltext":false,"cited_by_count":8,"citation_normalized_percentile":{"value":0.83595882,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":94,"max":98},"biblio":{"volume":"10","issue":null,"first_page":"100373","last_page":"100373"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9932000041007996,"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":0.9932000041007996,"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/T11227","display_name":"Diabetic Foot Ulcer Assessment and Management","score":0.0008999999845400453,"subfield":{"id":"https://openalex.org/subfields/2712","display_name":"Endocrinology, Diabetes and Metabolism"},"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/T11140","display_name":"Natural Antidiabetic Agents Studies","score":0.0006000000284984708,"subfield":{"id":"https://openalex.org/subfields/2712","display_name":"Endocrinology, Diabetes and Metabolism"},"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/quercetin","display_name":"quercetin","score":1.0},{"id":"https://openalex.org/keywords/diabetic-foot-ulcer","display_name":"diabetic foot ulcer","score":1.0},{"id":"https://openalex.org/keywords/mmp-9","display_name":"MMP-9","score":0.8569999933242798},{"id":"https://openalex.org/keywords/il-17-signaling","display_name":"IL-17 signaling","score":0.8650000095367432},{"id":"https://openalex.org/keywords/fluid-shear-stress","display_name":"fluid shear stress","score":0.9380000233650208},{"id":"https://openalex.org/keywords/atherosclerosis","display_name":"atherosclerosis","score":0.9800000190734863},{"id":"https://openalex.org/keywords/traditional-chinese-medicine","display_name":"traditional Chinese medicine","score":0.6620000004768372},{"id":"https://openalex.org/keywords/antioxidants","display_name":"antioxidants","score":0.36399999260902405},{"id":"https://openalex.org/keywords/admet-prediction","display_name":"ADMET prediction","score":0.5740000009536743},{"id":"https://openalex.org/keywords/protein-ligand-binding-affinity","display_name":"protein-ligand binding affinity","score":0.652999997138977},{"id":"https://openalex.org/keywords/kegg-pathway-enrichment","display_name":"KEGG pathway enrichment","score":0.6029999852180481},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.375},{"id":"https://openalex.org/keywords/network-pharmacology","display_name":"network pharmacology","score":0.8259999752044678}],"concepts":[{"id":"https://openalex.org/C152724338","wikidata":"https://www.wikidata.org/wiki/Q909442","display_name":"KEGG","level":5,"score":0.7870209813117981},{"id":"https://openalex.org/C158180186","wikidata":"https://www.wikidata.org/wiki/Q278487","display_name":"PubChem","level":2,"score":0.6421548128128052},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.48451346158981323},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.481740266084671},{"id":"https://openalex.org/C2778144972","wikidata":"https://www.wikidata.org/wiki/Q52859","display_name":"Diabetic foot ulcer","level":4,"score":0.42342984676361084},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.4082770049571991},{"id":"https://openalex.org/C2987395477","wikidata":"https://www.wikidata.org/wiki/Q135085","display_name":"Gene ontology","level":4,"score":0.33722826838493347},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3066805303096771},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.2949579656124115},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.2742171883583069},{"id":"https://openalex.org/C555293320","wikidata":"https://www.wikidata.org/wiki/Q12206","display_name":"Diabetes mellitus","level":2,"score":0.25306522846221924},{"id":"https://openalex.org/C2777858829","wikidata":"https://www.wikidata.org/wiki/Q52856","display_name":"Diabetic foot","level":3,"score":0.22512152791023254},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.19560638070106506},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.12571999430656433},{"id":"https://openalex.org/C150194340","wikidata":"https://www.wikidata.org/wiki/Q26972","display_name":"Gene expression","level":3,"score":0.09811133146286011},{"id":"https://openalex.org/C134018914","wikidata":"https://www.wikidata.org/wiki/Q162606","display_name":"Endocrinology","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}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1016/j.prmcm.2024.100373","doi":"https://doi.org/10.1016/j.prmcm.2024.100373","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.prmcm.2024.100373","pdf_url":null,"source":{"id":"https://openalex.org/S4210232177","display_name":"Pharmacological Research - Modern Chinese Medicine","issn_l":"2667-1425","issn":["2667-1425"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","poland-20"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Pharmacological Research - Modern Chinese Medicine","raw_type":"journal-article"},{"id":"doi:10.2139/ssrn.4665479","doi":"https://doi.org/10.2139/ssrn.4665479","is_oa":true,"landing_page_url":"https://doi.org/10.2139/ssrn.4665479","pdf_url":null,"source":{"id":"https://openalex.org/S4210172589","display_name":"SSRN Electronic Journal","issn_l":"1556-5068","issn":["1556-5068"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1318003438","host_organization_name":"RELX Group (Netherlands)","host_organization_lineage":["https://openalex.org/I1318003438"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"},{"id":"pmh:oai:doaj.org/article:9623b7e43e9a49b9bb60de16ec712b89","doi":null,"is_oa":true,"landing_page_url":"https://doaj.org/article/9623b7e43e9a49b9bb60de16ec712b89","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":"Pharmacological Research - Modern Chinese Medicine, Vol 10, Iss , Pp 100373- (2024)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.1016/j.prmcm.2024.100373","doi":"https://doi.org/10.1016/j.prmcm.2024.100373","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.prmcm.2024.100373","pdf_url":null,"source":{"id":"https://openalex.org/S4210232177","display_name":"Pharmacological Research - Modern Chinese Medicine","issn_l":"2667-1425","issn":["2667-1425"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","poland-20"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Pharmacological Research - Modern Chinese Medicine","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","score":0.9763000011444092,"display_name":"Good health and well-being"}],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":52,"referenced_works":["https://openalex.org/W1949832432","https://openalex.org/W1969423045","https://openalex.org/W1984673823","https://openalex.org/W2013040704","https://openalex.org/W2033591223","https://openalex.org/W2055624323","https://openalex.org/W2071107715","https://openalex.org/W2079609797","https://openalex.org/W2124679671","https://openalex.org/W2139410915","https://openalex.org/W2143303248","https://openalex.org/W2149302140","https://openalex.org/W2155478691","https://openalex.org/W2169082773","https://openalex.org/W2396666250","https://openalex.org/W2602298597","https://openalex.org/W2612245624","https://openalex.org/W2742501995","https://openalex.org/W2800515457","https://openalex.org/W2804541938","https://openalex.org/W2954010686","https://openalex.org/W2979904024","https://openalex.org/W2983166786","https://openalex.org/W3044847815","https://openalex.org/W3092434033","https://openalex.org/W3111761199","https://openalex.org/W3126811490","https://openalex.org/W3165034028","https://openalex.org/W3166315429","https://openalex.org/W3173454529","https://openalex.org/W3180542962","https://openalex.org/W3197567479","https://openalex.org/W3205716724","https://openalex.org/W3206813614","https://openalex.org/W4200366373","https://openalex.org/W4205121918","https://openalex.org/W4205297052","https://openalex.org/W4214820523","https://openalex.org/W4214946588","https://openalex.org/W4226353637","https://openalex.org/W4228996774","https://openalex.org/W4280587997","https://openalex.org/W4283318932","https://openalex.org/W4296639072","https://openalex.org/W4299801828","https://openalex.org/W4310474366","https://openalex.org/W4313410109","https://openalex.org/W4322501448","https://openalex.org/W4322719960","https://openalex.org/W4362736928","https://openalex.org/W4377823309","https://openalex.org/W4390538251"],"related_works":["https://openalex.org/W4414704532","https://openalex.org/W4403987464","https://openalex.org/W4220752378","https://openalex.org/W4416020450","https://openalex.org/W7167849362","https://openalex.org/W4411697846","https://openalex.org/W4410694783","https://openalex.org/W4391749847","https://openalex.org/W7203723171","https://openalex.org/W4280587997"],"abstract_inverted_index":{"Background":[0],"Quercetin":[1],"(QUE),":[2],"being":[3],"a":[4,9,21,130,148,360],"strong":[5],"antioxidant,":[6],"has":[7,55,113],"been":[8,114],"part":[10],"of":[11,20,24,49,63,73,87,133,141,203,236,239,275,319,325,331,349,351,353,371],"Chinese":[12,106,123,135],"traditional":[13,105],"medicine":[14,107],"for":[15,17,215,363,369],"ages":[16],"the":[18,61,70,85,118,242,273,287,300,308,316,329,332],"management":[19,274],"large":[22],"number":[23],"ailments":[25],"including":[26],"type":[27],"2":[28],"diabetes":[29],"mellitus":[30],"and":[31,52,67,99,102,155,188,194,205,248,256,267,302,342],"its":[32],"complications,":[33],"primarily,":[34],"Diabetic":[35],"Foot":[36],"Ulcer":[37],"(DFU),":[38],"but":[39],"it":[40,57],"is":[41,81,296],"under":[42],"lying":[43],"mechanisms":[44],"remain":[45],"elusive.":[46],"The":[47,104,137,200,347],"introduction":[48],"network":[50,97],"pharmacology":[51,98,109],"molecular":[53,100],"docking":[54,278],"made":[56],"facile":[58],"to":[59,68,83,116,128,158,190,196,286,298],"investigate":[60,84],"mechanism":[62,86],"QUE-containing":[64],"different":[65,163],"plants":[66],"validate":[69],"binding":[71],"affinity":[72],"QUE":[74,88,125,142,216,225,271,282,321,356],"with":[75,226,241,270,307],"DFU":[76,92,144,159,326,358,372],"protein":[77],"respectively.Aim":[78],"This":[79,311],"study":[80,312],"aimed":[82],"in":[89,121,262,322,373],"protecting":[90],"against":[91,143,272,357],"through":[93],"modern":[94],"approaches":[95],"viz.":[96],"docking.Materials":[101],"methods":[103],"system":[108],"analysis":[110],"platform":[111],"(TCMSP)":[112],"used":[115],"retrieve":[117],"active":[119],"ingredients":[120],"various":[122,134],"formulations.":[124,136],"was":[126,217],"found":[127,268],"be":[129],"bioactive":[131,320,354],"component":[132],"core":[138],"therapeutic":[139],"targets":[140,154,193,260,289],"were":[145,160,186,212,228,251,265],"identified":[146],"using":[147],"protein\u2013protein":[149],"interaction":[150,223],"(PPI)":[151],"network.":[152],"QUE-associated":[153],"genes":[156],"related":[157],"obtained":[161,213],"from":[162,214],"comprehensive":[164],"databases":[165],"(Pubchem,":[166],"Swiss":[167],"target":[168,318],"prediction":[169],"database,":[170,172,174,176],"SEA":[171],"String":[173],"Disgenet":[175],"Molegro":[177],"virtual":[178],"docker":[179],"version":[180],"6.0,":[181],"ADMET":[182],"lab2.0,":[183],"SwissADME":[184],"database)":[185],"intersected,":[187],"analyzed":[189],"obtain":[191,197],"mapping":[192],"ranked":[195],"key":[198,288,317],"targets.Results":[199],"Kyoto":[201],"Encyclopedia":[202],"Genes":[204],"Genomes":[206],"(KEGG)":[207],"pathway":[208],"shows":[209],"major":[210],"pathways":[211],"matrix":[218],"metallopeptidase":[219],"9":[220],"(MMP9).":[221],"Receptor-ligand":[222],"between":[224],"MMP9":[227,261,290],"evaluated":[229],"via":[230],"MVD":[231],"6.0":[232],"software.":[233],"A":[234],"total":[235],"10":[237],"interactions":[238,250],"quercetin":[240],"following":[243],"moldock":[244],"score,":[245,247],"rerank":[246],"H-bond":[249],"observed":[252],"as":[253,315],"-110.912,":[254],"-37.33,":[255],"-12.11":[257],"respectively.":[258,344],"Candidate":[259],"diabetic":[263,374],"complications":[264],"ascertained":[266],"associated":[269],"DFU.":[276],"Molecular":[277],"models":[279],"showed":[280],"that":[281],"could":[283],"closely":[284],"bind":[285],"(PDB":[291],"id:":[292],"2OVX).":[293],"ADME/T":[294],"Analysis":[295],"performed":[297],"check":[299],"pharmacokinetic":[301],"toxicity":[303],"profile":[304],"which":[305],"complies":[306],"ideal":[309],"values.Conclusions":[310],"proposed":[313],"MMP9,":[314],"mechanistic":[323],"control":[324],"by":[327],"lowering":[328],"activity":[330],"IL-17":[333],"signalling":[334],"pathway,":[335],"Leukocyte":[336],"trans-endothelial":[337],"migration,":[338],"Fluid":[339],"shear":[340],"stress,":[341],"atherosclerosis":[343],"Future":[345],"aspects":[346],"explication":[348],"mode":[350],"action":[352],"constituent":[355],"provide":[359],"theoretical":[361],"basis":[362],"designing":[364],"more":[365],"promising":[366],"agents":[367],"further":[368],"treatment":[370],"patients":[375]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":4},{"year":2024,"cited_by_count":2}],"updated_date":"2026-10-16T09:59:22.235173","created_date":"2024-01-27T00:00:00"}