{"id":"https://openalex.org/W4402444529","doi":"https://doi.org/10.22159/ijap.2024v16i5.51538","title":"HESPERETIN DERIVATIVES AS PPAR \u03b3 AGONIST: A PHARMACOPHORE APPROACH","display_name":"HESPERETIN DERIVATIVES AS PPAR \u03b3 AGONIST: A PHARMACOPHORE APPROACH","publication_year":2024,"publication_date":"2024-09-07","ids":{"openalex":"https://openalex.org/W4402444529","doi":"https://doi.org/10.22159/ijap.2024v16i5.51538"},"language":"en","primary_location":{"id":"doi:10.22159/ijap.2024v16i5.51538","doi":"https://doi.org/10.22159/ijap.2024v16i5.51538","is_oa":true,"landing_page_url":"https://doi.org/10.22159/ijap.2024v16i5.51538","pdf_url":"https://journals.innovareacademics.in/index.php/ijap/article/download/51538/30747","source":{"id":"https://openalex.org/S2764477652","display_name":"International Journal of Applied Pharmaceutics","issn_l":"0975-7058","issn":["0975-7058"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":["poland-100","russia-white-list-3"],"host_organization":"https://openalex.org/P4322697801","host_organization_name":"Innovare Academic Sciences","host_organization_lineage":["https://openalex.org/P4322697801"],"host_organization_lineage_names":["Innovare Academic Sciences"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"International Journal of Applied Pharmaceutics","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"diamond","oa_url":"https://journals.innovareacademics.in/index.php/ijap/article/download/51538/30747","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":null,"display_name":"RAMANATHAN MUTHIAH","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4405275187","display_name":"PSG College of Pharmacy","ror":"https://ror.org/033xjms15","country_code":"IN","type":"education","lineage":["https://openalex.org/I4405275187"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"RAMANATHAN MUTHIAH","raw_affiliation_strings":["Department of Pharmacology, PSG College of Pharmacy, Peelamedu, Coimbatore-641004, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmacology, PSG College of Pharmacy, Peelamedu, Coimbatore-641004, India","institution_ids":["https://openalex.org/I4405275187"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5004483822","display_name":"Vijayalakshmi Chinniah","orcid":"https://orcid.org/0000-0002-9314-0285","observed_orcids":["https://orcid.org/0000-0002-9314-0285"]},"institutions":[{"id":"https://openalex.org/I4405275187","display_name":"PSG College of Pharmacy","ror":"https://ror.org/033xjms15","country_code":"IN","type":"education","lineage":["https://openalex.org/I4405275187"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"VIJAYALAKSHMI CHINNIAH","raw_affiliation_strings":["Department of Pharmacology, PSG College of Pharmacy, Peelamedu, Coimbatore-641004, India"],"raw_orcid":"https://orcid.org/0000-0002-9314-0285","affiliations":[{"raw_affiliation_string":"Department of Pharmacology, PSG College of Pharmacy, Peelamedu, Coimbatore-641004, India","institution_ids":["https://openalex.org/I4405275187"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5032441279","display_name":"Maida Engels S.E.","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4405275187","display_name":"PSG College of Pharmacy","ror":"https://ror.org/033xjms15","country_code":"IN","type":"education","lineage":["https://openalex.org/I4405275187"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"MAIDA ENGELS. S. E.","raw_affiliation_strings":["Department of Pharmaceutical Chemistry, PSG College of Pharmacy, Peelamedu, Coimbatore-641004, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Chemistry, PSG College of Pharmacy, Peelamedu, Coimbatore-641004, India","institution_ids":["https://openalex.org/I4405275187"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I4405275187"],"apc_list":null,"apc_paid":null,"fwci":0.1349,"has_fulltext":true,"cited_by_count":1,"citation_normalized_percentile":{"value":0.34849171,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":93},"biblio":{"volume":null,"issue":null,"first_page":"225","last_page":"233"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9911999702453613,"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":0.9911999702453613,"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/T11072","display_name":"Peroxisome Proliferator-Activated Receptors","score":0.0010000000474974513,"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/T11908","display_name":"Protein Interaction Studies and Fluorescence Analysis","score":0.0007999999797903001,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/ppargamma-agonists","display_name":"PPAR\u03b3 agonists","score":0.8550000190734863},{"id":"https://openalex.org/keywords/flavonoids","display_name":"flavonoids","score":0.7770000100135803},{"id":"https://openalex.org/keywords/thiazolidinediones","display_name":"thiazolidinediones","score":0.8519999980926514},{"id":"https://openalex.org/keywords/pharmacophore-modeling","display_name":"pharmacophore modeling","score":0.9369999766349792},{"id":"https://openalex.org/keywords/qsar","display_name":"QSAR","score":0.8659999966621399},{"id":"https://openalex.org/keywords/mm-gbsa","display_name":"MM-GBSA","score":0.652999997138977},{"id":"https://openalex.org/keywords/molecular-dynamics-simulation","display_name":"molecular dynamics simulation","score":0.6480000019073486},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.6449999809265137},{"id":"https://openalex.org/keywords/adme-properties","display_name":"ADME properties","score":0.8159999847412109},{"id":"https://openalex.org/keywords/drug-likeness","display_name":"drug-likeness","score":0.6480000019073486},{"id":"https://openalex.org/keywords/peroxisome-proliferator-activated-receptors","display_name":"peroxisome proliferator-activated receptors","score":0.8299999833106995}],"concepts":[{"id":"https://openalex.org/C56173144","wikidata":"https://www.wikidata.org/wiki/Q1539893","display_name":"Pharmacophore","level":2,"score":0.922629714012146},{"id":"https://openalex.org/C2777252647","wikidata":"https://www.wikidata.org/wiki/Q411310","display_name":"Hesperetin","level":4,"score":0.6792468428611755},{"id":"https://openalex.org/C2778938600","wikidata":"https://www.wikidata.org/wiki/Q389934","display_name":"Agonist","level":3,"score":0.6438606381416321},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5865071415901184},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.5764753818511963},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.2819654047489166},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.2441062033176422},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.16428089141845703},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.16162678599357605},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.14595568180084229},{"id":"https://openalex.org/C2778004101","wikidata":"https://www.wikidata.org/wiki/Q133948","display_name":"Antioxidant","level":2,"score":0.0},{"id":"https://openalex.org/C2779054382","wikidata":"https://www.wikidata.org/wiki/Q72185287","display_name":"Flavonoid","level":3,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.22159/ijap.2024v16i5.51538","doi":"https://doi.org/10.22159/ijap.2024v16i5.51538","is_oa":true,"landing_page_url":"https://doi.org/10.22159/ijap.2024v16i5.51538","pdf_url":"https://journals.innovareacademics.in/index.php/ijap/article/download/51538/30747","source":{"id":"https://openalex.org/S2764477652","display_name":"International Journal of Applied Pharmaceutics","issn_l":"0975-7058","issn":["0975-7058"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":["poland-100","russia-white-list-3"],"host_organization":"https://openalex.org/P4322697801","host_organization_name":"Innovare Academic Sciences","host_organization_lineage":["https://openalex.org/P4322697801"],"host_organization_lineage_names":["Innovare Academic Sciences"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"International Journal of Applied Pharmaceutics","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.22159/ijap.2024v16i5.51538","doi":"https://doi.org/10.22159/ijap.2024v16i5.51538","is_oa":true,"landing_page_url":"https://doi.org/10.22159/ijap.2024v16i5.51538","pdf_url":"https://journals.innovareacademics.in/index.php/ijap/article/download/51538/30747","source":{"id":"https://openalex.org/S2764477652","display_name":"International Journal of Applied Pharmaceutics","issn_l":"0975-7058","issn":["0975-7058"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":["poland-100","russia-white-list-3"],"host_organization":"https://openalex.org/P4322697801","host_organization_name":"Innovare Academic Sciences","host_organization_lineage":["https://openalex.org/P4322697801"],"host_organization_lineage_names":["Innovare Academic Sciences"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"International Journal of Applied Pharmaceutics","raw_type":"journal-article"},"sustainable_development_goals":[{"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3","score":0.8560000061988831}],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4402444529.pdf","grobid_xml":"https://content.openalex.org/works/W4402444529.grobid-xml"},"referenced_works_count":39,"referenced_works":["https://openalex.org/W1971770400","https://openalex.org/W1985588649","https://openalex.org/W1999491936","https://openalex.org/W2009423060","https://openalex.org/W2012832850","https://openalex.org/W2021208588","https://openalex.org/W2035458523","https://openalex.org/W2050158436","https://openalex.org/W2053249206","https://openalex.org/W2078474673","https://openalex.org/W2079389643","https://openalex.org/W2092345596","https://openalex.org/W2112101018","https://openalex.org/W2113456624","https://openalex.org/W2168556140","https://openalex.org/W2183555969","https://openalex.org/W2217770415","https://openalex.org/W2293659313","https://openalex.org/W2465564629","https://openalex.org/W2547929901","https://openalex.org/W2622834830","https://openalex.org/W2736294384","https://openalex.org/W2739927908","https://openalex.org/W2765299768","https://openalex.org/W2769250691","https://openalex.org/W2797947316","https://openalex.org/W2890476605","https://openalex.org/W3003129770","https://openalex.org/W3096289954","https://openalex.org/W3100994999","https://openalex.org/W3118256018","https://openalex.org/W3134715435","https://openalex.org/W4210699346","https://openalex.org/W4220665426","https://openalex.org/W4281398277","https://openalex.org/W4319316333","https://openalex.org/W4382020335","https://openalex.org/W4382488234","https://openalex.org/W4385564442"],"related_works":["https://openalex.org/W2045276305","https://openalex.org/W4409751114","https://openalex.org/W3027891577","https://openalex.org/W2953359046","https://openalex.org/W3053034804","https://openalex.org/W4403825153","https://openalex.org/W4385740550","https://openalex.org/W4409468974","https://openalex.org/W7215115439","https://openalex.org/W1943330482"],"abstract_inverted_index":{"Objective:":[0],"The":[1,34,108,143],"study":[2],"focuses":[3],"on":[4],"enhancing":[5],"the":[6],"pharmacological":[7,160],"activity":[8],"of":[9],"hesperetin,":[10,116],"a":[11,150],"bioflavonoid,":[12],"to":[13,25],"develop":[14],"novel":[15,151],"derivatives":[16],"with":[17,47,81,137,158],"improved":[18,113],"efficacy":[19],"and":[20,50,55,74,91,100,126,166],"reduced":[21],"side":[22],"effects":[23],"compared":[24],"existing":[26],"Thiazolidinediones":[27],"(TZDs)":[28],"as":[29],"PPAR":[30],"g":[31],"agonist.":[32],"Methods:":[33],"Methodology":[35],"involves":[36],"various":[37],"computational":[38],"approaches,":[39],"including":[40,117],"pharmacophore":[41],"modelling,":[42],"molecular":[43,56],"docking,":[44],"Molecular":[45,93,129],"Mechanics":[46],"Generalised":[48],"Born":[49],"Surface":[51],"Area":[52],"Solvation":[53],"(MMGBSA),":[54],"dynamics":[57,94,130],"simulations.":[58],"Pharmacophore":[59],"modelling":[60],"identifies":[61],"essential":[62],"binding":[63,79,127],"features":[64],"validated":[65],"by":[66],"Quantitative":[67],"Structure-Activity":[68],"Relationship":[69],"(QSAR)":[70],"models.":[71],"Database":[72],"screening":[73],"docking":[75,124],"confirm":[76,132],"lead":[77,84],"compounds'":[78],"affinity,":[80],"MMGBSA":[82],"aiding":[83],"optimization.":[85],"Toxicological":[86],"assessment":[87],"ensures":[88],"drug":[89,167],"likeness":[90],"bioavailability.":[92],"simulations":[95,131],"explore":[96],"protein-ligand":[97],"complex":[98,135],"stability":[99],"dynamics,":[101],"revealing":[102],"insights":[103],"into":[104],"their":[105],"interactions.":[106,141],"Results:":[107],"results":[109],"indicate":[110],"MOL-297":[111],"exhibits":[112],"properties":[114],"over":[115],"ADME":[118],"properties,":[119,161],"solubility,":[120],"blood-brain":[121],"barrier":[122],"permeability,":[123],"score,":[125],"energy.":[128],"Mol-297-PPAR":[133],"\u03b3":[134],"stability,":[136],"favourable":[138],"ligand-amino":[139],"acid":[140],"Conclusion:":[142],"developed":[144],"new":[145],"molecule":[146],"MOL":[147],"297,":[148],"is":[149],"Peroxisome":[152],"Proliferator-Activated":[153],"Receptor":[154],"(PPAR)":[155],"gamma":[156],"agonists":[157],"enhanced":[159],"warranting":[162],"further":[163],"experimental":[164],"validation":[165],"development.":[168]},"counts_by_year":[{"year":2025,"cited_by_count":1}],"updated_date":"2026-10-17T09:40:24.721904","created_date":"2024-09-12T00:00:00"}