{"id":"https://openalex.org/W4243757058","doi":"https://doi.org/10.1504/ijcbdd.2018.10015798","title":"Identification of dual target anti-inflammatory inhibitors using merged structure-based pharmacophore modelling and docking approach","display_name":"Identification of dual target anti-inflammatory inhibitors using merged structure-based pharmacophore modelling and docking approach","publication_year":2018,"publication_date":"2018-01-01","ids":{"openalex":"https://openalex.org/W4243757058","doi":"https://doi.org/10.1504/ijcbdd.2018.10015798"},"language":"en","primary_location":{"id":"doi:10.1504/ijcbdd.2018.10015798","is_oa":false,"landing_page_url":"https://doi.org/10.1504/ijcbdd.2018.10015798","pdf_url":null,"source":{"id":"https://openalex.org/S200215862","display_name":"International Journal of Computational Biology and Drug Design","issn_l":"1756-0756","issn":["1756-0756","1756-0764"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310317825","host_organization_name":"Inderscience Publishers","host_organization_lineage":["https://openalex.org/P4310317825"],"host_organization_lineage_names":["Inderscience Publishers"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"International Journal of Computational Biology and Drug Design","raw_type":"journal-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":null,"display_name":"Teh Lay Kek","orcid":null},"institutions":[{"id":"https://openalex.org/I82724352","display_name":"Universiti Teknologi MARA","ror":"https://ror.org/05n8tts92","country_code":"MY","type":"education","lineage":["https://openalex.org/I82724352"]}],"countries":["MY"],"is_corresponding":true,"raw_author_name":"Teh Lay Kek","raw_affiliation_strings":["Integrative Pharmacogenomics Institute (iPROMISE), Universiti Teknologi MARA (UiTM), Bandar Puncak Alam, 42300 Selangor, Malaysia; Faculty of Pharmacy, Universiti Teknologi MARA (UiTM), Bandar Puncak Alam, 42300 Selangor, Malaysia","Faculty of Pharmacy, Universiti Teknologi MARA (UiTM), Bandar Puncak Alam, 42300 Selangor, Malaysia","Integrative Pharmacogenomics Institute (iPROMISE), Universiti Teknologi MARA (UiTM), Bandar Puncak Alam, 42300 Selangor, Malaysia"],"affiliations":[{"raw_affiliation_string":"Integrative Pharmacogenomics Institute (iPROMISE), Universiti Teknologi MARA (UiTM), Bandar Puncak Alam, 42300 Selangor, Malaysia; Faculty of Pharmacy, Universiti Teknologi MARA (UiTM), Bandar Puncak Alam, 42300 Selangor, Malaysia","institution_ids":["https://openalex.org/I82724352"]},{"raw_affiliation_string":"Faculty of Pharmacy, Universiti Teknologi MARA (UiTM), Bandar Puncak Alam, 42300 Selangor, Malaysia","institution_ids":["https://openalex.org/I82724352"]},{"raw_affiliation_string":"Integrative Pharmacogenomics Institute (iPROMISE), Universiti Teknologi MARA (UiTM), Bandar Puncak Alam, 42300 Selangor, Malaysia","institution_ids":["https://openalex.org/I82724352"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5075617314","display_name":"Manikandan Selvaraj","orcid":"https://orcid.org/0000-0001-8604-8598"},"institutions":[{"id":"https://openalex.org/I82724352","display_name":"Universiti Teknologi MARA","ror":"https://ror.org/05n8tts92","country_code":"MY","type":"education","lineage":["https://openalex.org/I82724352"]}],"countries":["MY"],"is_corresponding":false,"raw_author_name":"Manikandan Selvaraj","raw_affiliation_strings":["Integrative Pharmacogenomics Institute (iPROMISE), Universiti Teknologi MARA (UiTM), Bandar Puncak Alam, 42300 Selangor, Malaysia"],"affiliations":[{"raw_affiliation_string":"Integrative Pharmacogenomics Institute (iPROMISE), Universiti Teknologi MARA (UiTM), Bandar Puncak Alam, 42300 Selangor, Malaysia","institution_ids":["https://openalex.org/I82724352"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5085863432","display_name":"Siti Norhidayu Mohd Amin","orcid":"https://orcid.org/0000-0002-3382-0019"},"institutions":[{"id":"https://openalex.org/I82724352","display_name":"Universiti Teknologi MARA","ror":"https://ror.org/05n8tts92","country_code":"MY","type":"education","lineage":["https://openalex.org/I82724352"]}],"countries":["MY"],"is_corresponding":false,"raw_author_name":"Siti Norhidayu Mohd Amin","raw_affiliation_strings":["Integrative Pharmacogenomics Institute (iPROMISE), Universiti Teknologi MARA (UiTM), Bandar Puncak Alam, 42300 Selangor, Malaysia"],"affiliations":[{"raw_affiliation_string":"Integrative Pharmacogenomics Institute (iPROMISE), Universiti Teknologi MARA (UiTM), Bandar Puncak Alam, 42300 Selangor, Malaysia","institution_ids":["https://openalex.org/I82724352"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101416082","display_name":"Mohd Zaki Salleh","orcid":"https://orcid.org/0000-0001-9882-0661"},"institutions":[{"id":"https://openalex.org/I82724352","display_name":"Universiti Teknologi MARA","ror":"https://ror.org/05n8tts92","country_code":"MY","type":"education","lineage":["https://openalex.org/I82724352"]}],"countries":["MY"],"is_corresponding":false,"raw_author_name":"Mohd Zaki Salleh","raw_affiliation_strings":["Integrative Pharmacogenomics Institute (iPROMISE), Universiti Teknologi MARA (UiTM), Bandar Puncak Alam, 42300 Selangor, Malaysia; Faculty of Pharmacy, Universiti Teknologi MARA (UiTM), Bandar Puncak Alam, 42300 Selangor, Malaysia","Faculty of Pharmacy, Universiti Teknologi MARA (UiTM), Bandar Puncak Alam, 42300 Selangor, Malaysia","Integrative Pharmacogenomics Institute (iPROMISE), Universiti Teknologi MARA (UiTM), Bandar Puncak Alam, 42300 Selangor, Malaysia"],"affiliations":[{"raw_affiliation_string":"Integrative Pharmacogenomics Institute (iPROMISE), Universiti Teknologi MARA (UiTM), Bandar Puncak Alam, 42300 Selangor, Malaysia; Faculty of Pharmacy, Universiti Teknologi MARA (UiTM), Bandar Puncak Alam, 42300 Selangor, Malaysia","institution_ids":["https://openalex.org/I82724352"]},{"raw_affiliation_string":"Faculty of Pharmacy, Universiti Teknologi MARA (UiTM), Bandar Puncak Alam, 42300 Selangor, Malaysia","institution_ids":["https://openalex.org/I82724352"]},{"raw_affiliation_string":"Integrative Pharmacogenomics Institute (iPROMISE), Universiti Teknologi MARA (UiTM), Bandar Puncak Alam, 42300 Selangor, Malaysia","institution_ids":["https://openalex.org/I82724352"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5087622426","display_name":"Muhd Hanis Md Idris","orcid":"https://orcid.org/0000-0001-8246-6493"},"institutions":[{"id":"https://openalex.org/I82724352","display_name":"Universiti Teknologi MARA","ror":"https://ror.org/05n8tts92","country_code":"MY","type":"education","lineage":["https://openalex.org/I82724352"]}],"countries":["MY"],"is_corresponding":false,"raw_author_name":"Muhd Hanis Md Idris","raw_affiliation_strings":["Integrative Pharmacogenomics Institute (iPROMISE), Universiti Teknologi MARA (UiTM), Bandar Puncak Alam, 42300 Selangor, Malaysia"],"affiliations":[{"raw_affiliation_string":"Integrative Pharmacogenomics Institute (iPROMISE), Universiti Teknologi MARA (UiTM), Bandar Puncak Alam, 42300 Selangor, Malaysia","institution_ids":["https://openalex.org/I82724352"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I82724352"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.21358034,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"11","issue":"3","first_page":"183","last_page":"183"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10274","display_name":"Synthesis and biological activity","score":0.998199999332428,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10274","display_name":"Synthesis and biological activity","score":0.998199999332428,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T13454","display_name":"Phenothiazines and Benzothiazines Synthesis and Activities","score":0.9907000064849854,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.9879000186920166,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/pharmacophore","display_name":"Pharmacophore","score":0.9511854648590088},{"id":"https://openalex.org/keywords/protein-data-bank","display_name":"Protein Data Bank (RCSB PDB)","score":0.6925808787345886},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.6344154477119446},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.574168860912323},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.5587723255157471},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.48224884271621704},{"id":"https://openalex.org/keywords/chalcone","display_name":"Chalcone","score":0.46603602170944214},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.32619452476501465},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.24982810020446777},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.1492210328578949},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.09992825984954834}],"concepts":[{"id":"https://openalex.org/C56173144","wikidata":"https://www.wikidata.org/wiki/Q1539893","display_name":"Pharmacophore","level":2,"score":0.9511854648590088},{"id":"https://openalex.org/C65556437","wikidata":"https://www.wikidata.org/wiki/Q766195","display_name":"Protein Data Bank (RCSB PDB)","level":2,"score":0.6925808787345886},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.6344154477119446},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.574168860912323},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.5587723255157471},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.48224884271621704},{"id":"https://openalex.org/C2780764945","wikidata":"https://www.wikidata.org/wiki/Q899416","display_name":"Chalcone","level":2,"score":0.46603602170944214},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.32619452476501465},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.24982810020446777},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.1492210328578949},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.09992825984954834},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1504/ijcbdd.2018.10015798","is_oa":false,"landing_page_url":"https://doi.org/10.1504/ijcbdd.2018.10015798","pdf_url":null,"source":{"id":"https://openalex.org/S200215862","display_name":"International Journal of Computational Biology and Drug Design","issn_l":"1756-0756","issn":["1756-0756","1756-0764"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310317825","host_organization_name":"Inderscience Publishers","host_organization_lineage":["https://openalex.org/P4310317825"],"host_organization_lineage_names":["Inderscience Publishers"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"International Journal of Computational Biology and Drug Design","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W2000397010","https://openalex.org/W2115078847","https://openalex.org/W2062768126","https://openalex.org/W2080809815","https://openalex.org/W2969563261","https://openalex.org/W2061401330","https://openalex.org/W3041915240","https://openalex.org/W2077097504","https://openalex.org/W2055137136","https://openalex.org/W2586171341"],"abstract_inverted_index":{"Merged":[0],"structure-based":[1],"pharmacophore":[2],"modelling":[3],"followed":[4],"by":[5],"3D":[6],"database":[7],"search":[8],"and":[9,24,44,65],"molecular":[10],"docking":[11],"were":[12,69],"the":[13,33,54],"sequential":[14],"protocol":[15],"applied":[16],"in":[17,53],"order":[18],"to":[19],"identify":[20],"selective":[21],"novel":[22,92],"COX-2":[23,41],"PDE4D":[25,45],"as":[26,50,71,95],"dual":[27,57,73],"target":[28,58,74],"anti-inflammatory":[29,75,93],"inhibitors.":[30,59],"Utilisation":[31],"of":[32,37,40,56,91],"key":[34],"interaction":[35],"features":[36],"crystal":[38],"structures":[39],"(pdb:":[42,46],"1CX2)":[43],"N0YN)":[47],"was":[48],"exploited":[49],"critical":[51],"component":[52],"selection":[55],"Through":[60],"this":[61],"approach,":[62],"nine":[63],"chalcone":[64],"flavones":[66],"scaffold-like":[67],"compounds":[68],"selected":[70],"putative":[72],"inhibitors":[76,94],"from":[77],"Asinex":[78],"database.":[79],"In":[80],"general,":[81],"understanding":[82],"such":[83],"approach":[84],"could":[85],"provide":[86],"valuable":[87],"insights":[88],"into":[89],"discovery":[90],"therapeutic":[96],"agents.":[97]},"counts_by_year":[],"updated_date":"2026-04-16T08:26:57.006410","created_date":"2025-10-10T00:00:00"}
