{"id":"https://openalex.org/W2087344936","doi":"https://doi.org/10.1007/s10822-011-9540-z","title":"Development of energetic pharmacophore for the designing of 1,2,3,4-tetrahydropyrimidine derivatives as selective cyclooxygenase-2 inhibitors","display_name":"Development of energetic pharmacophore for the designing of 1,2,3,4-tetrahydropyrimidine derivatives as selective cyclooxygenase-2 inhibitors","publication_year":2012,"publication_date":"2012-01-04","ids":{"openalex":"https://openalex.org/W2087344936","doi":"https://doi.org/10.1007/s10822-011-9540-z","mag":"2087344936","pmid":"https://pubmed.ncbi.nlm.nih.gov/22218727"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-011-9540-z","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-011-9540-z","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5086638792","display_name":"Deepak K. Lokwani","orcid":"https://orcid.org/0000-0003-2858-678X"},"institutions":[{"id":"https://openalex.org/I165259314","display_name":"Dr. Babasaheb Ambedkar Marathwada University","ror":"https://ror.org/033pfj584","country_code":"IN","type":"education","lineage":["https://openalex.org/I165259314"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Deepak Lokwani","raw_affiliation_strings":["Department of Chemical Technology, Dr. Babasaheb Ambedkar Marathwada University, Aurangabad, MS 431004, India","Department of Chemical Technology, Dr. Babasaheb Ambedkar Marathwada University, Aurangabad, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemical Technology, Dr. Babasaheb Ambedkar Marathwada University, Aurangabad, MS 431004, India","institution_ids":["https://openalex.org/I165259314"]},{"raw_affiliation_string":"Department of Chemical Technology, Dr. Babasaheb Ambedkar Marathwada University, Aurangabad, India","institution_ids":["https://openalex.org/I165259314"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5050567551","display_name":"Reecha D. Shah","orcid":null},"institutions":[{"id":"https://openalex.org/I4210104670","display_name":"National Centre for Cell Science","ror":"https://ror.org/01bp81r18","country_code":"IN","type":"facility","lineage":["https://openalex.org/I2799351866","https://openalex.org/I4210104670","https://openalex.org/I4210134808"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Reecha Shah","raw_affiliation_strings":["National Centre for Cell Science (NCCS), Ganeshkhind, Pune, 411007, India","National Centre for Cell Science, NCCS, Ganeshkhind, Pune, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"National Centre for Cell Science (NCCS), Ganeshkhind, Pune, 411007, India","institution_ids":["https://openalex.org/I4210104670"]},{"raw_affiliation_string":"National Centre for Cell Science, NCCS, Ganeshkhind, Pune, India","institution_ids":["https://openalex.org/I4210104670"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5001526397","display_name":"Santosh N. Mokale","orcid":"https://orcid.org/0000-0002-9860-8895"},"institutions":[{"id":"https://openalex.org/I4210154211","display_name":"Government Medical College","ror":"https://ror.org/05kn6fr85","country_code":"IN","type":"education","lineage":["https://openalex.org/I4210154211"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Santosh Mokale","raw_affiliation_strings":["Y.B. Chavan College of Pharmacy, Dr. Rafiq Zakaria Campus, Aurangabad, M.S., 431 001, India","Y.B. Chavan College of Pharmacy, Aurangabad, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Y.B. Chavan College of Pharmacy, Dr. Rafiq Zakaria Campus, Aurangabad, M.S., 431 001, India","institution_ids":[]},{"raw_affiliation_string":"Y.B. Chavan College of Pharmacy, Aurangabad, India","institution_ids":["https://openalex.org/I4210154211"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5111770641","display_name":"Padma Shastry","orcid":null},"institutions":[{"id":"https://openalex.org/I4210104670","display_name":"National Centre for Cell Science","ror":"https://ror.org/01bp81r18","country_code":"IN","type":"facility","lineage":["https://openalex.org/I2799351866","https://openalex.org/I4210104670","https://openalex.org/I4210134808"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Padma Shastry","raw_affiliation_strings":["National Centre for Cell Science (NCCS), Ganeshkhind, Pune, 411007, India","National Centre for Cell Science, NCCS, Ganeshkhind, Pune, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"National Centre for Cell Science (NCCS), Ganeshkhind, Pune, 411007, India","institution_ids":["https://openalex.org/I4210104670"]},{"raw_affiliation_string":"National Centre for Cell Science, NCCS, Ganeshkhind, Pune, India","institution_ids":["https://openalex.org/I4210104670"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5110623324","display_name":"Devanand B. Shinde","orcid":null},"institutions":[{"id":"https://openalex.org/I165259314","display_name":"Dr. Babasaheb Ambedkar Marathwada University","ror":"https://ror.org/033pfj584","country_code":"IN","type":"education","lineage":["https://openalex.org/I165259314"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Devanand Shinde","raw_affiliation_strings":["Department of Chemical Technology, Dr. Babasaheb Ambedkar Marathwada University, Aurangabad, MS, 431004, India","Department of Chemical Technology, Dr. Babasaheb Ambedkar Marathwada University, Aurangabad, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemical Technology, Dr. Babasaheb Ambedkar Marathwada University, Aurangabad, MS, 431004, India","institution_ids":["https://openalex.org/I165259314"]},{"raw_affiliation_string":"Department of Chemical Technology, Dr. Babasaheb Ambedkar Marathwada University, Aurangabad, India","institution_ids":["https://openalex.org/I165259314"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5110623324"],"corresponding_institution_ids":["https://openalex.org/I165259314"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":2.7205,"has_fulltext":false,"cited_by_count":19,"citation_normalized_percentile":{"value":0.8943467,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":98},"biblio":{"volume":"26","issue":"3","first_page":"267","last_page":"277"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10678","display_name":"Inflammatory mediators and NSAID effects","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T10678","display_name":"Inflammatory mediators and NSAID effects","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology"},"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/T10274","display_name":"Synthesis and biological activity","score":0.9997000098228455,"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/T10817","display_name":"Multicomponent Synthesis of Heterocycles","score":0.9970999956130981,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/pharmacophore","display_name":"Pharmacophore","score":0.9914337396621704},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.7561432123184204},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.6561816334724426},{"id":"https://openalex.org/keywords/cyclooxygenase","display_name":"Cyclooxygenase","score":0.5878194570541382},{"id":"https://openalex.org/keywords/active-site","display_name":"Active site","score":0.5518921613693237},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.5197574496269226},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.5148441195487976},{"id":"https://openalex.org/keywords/molecular-model","display_name":"Molecular model","score":0.46318766474723816},{"id":"https://openalex.org/keywords/combinatorial-chemistry","display_name":"Combinatorial chemistry","score":0.43613743782043457},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.29227012395858765}],"concepts":[{"id":"https://openalex.org/C56173144","wikidata":"https://www.wikidata.org/wiki/Q1539893","display_name":"Pharmacophore","level":2,"score":0.9914337396621704},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7561432123184204},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.6561816334724426},{"id":"https://openalex.org/C2779689624","wikidata":"https://www.wikidata.org/wiki/Q410251","display_name":"Cyclooxygenase","level":3,"score":0.5878194570541382},{"id":"https://openalex.org/C41183919","wikidata":"https://www.wikidata.org/wiki/Q423026","display_name":"Active site","level":3,"score":0.5518921613693237},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.5197574496269226},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.5148441195487976},{"id":"https://openalex.org/C178910836","wikidata":"https://www.wikidata.org/wiki/Q2196961","display_name":"Molecular model","level":2,"score":0.46318766474723816},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.43613743782043457},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.29227012395858765},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0}],"mesh":[{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011743","descriptor_name":"Pyrimidines","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D011743","descriptor_name":"Pyrimidines","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D011743","descriptor_name":"Pyrimidines","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D011743","descriptor_name":"Pyrimidines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011743","descriptor_name":"Pyrimidines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011743","descriptor_name":"Pyrimidines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D052246","descriptor_name":"Cyclooxygenase 2 Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D052246","descriptor_name":"Cyclooxygenase 2 Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D052246","descriptor_name":"Cyclooxygenase 2 Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D052246","descriptor_name":"Cyclooxygenase 2 Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D052246","descriptor_name":"Cyclooxygenase 2 Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D052246","descriptor_name":"Cyclooxygenase 2 Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1007/s10822-011-9540-z","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-011-9540-z","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:22218727","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/22218727","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,"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":"Journal of computer-aided molecular design","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":28,"referenced_works":["https://openalex.org/W1555254253","https://openalex.org/W1970351453","https://openalex.org/W1972683655","https://openalex.org/W1982842980","https://openalex.org/W1991339577","https://openalex.org/W1992623945","https://openalex.org/W2012801178","https://openalex.org/W2023251219","https://openalex.org/W2024100277","https://openalex.org/W2029941300","https://openalex.org/W2046275966","https://openalex.org/W2047459355","https://openalex.org/W2050537711","https://openalex.org/W2057685090","https://openalex.org/W2062239061","https://openalex.org/W2068303069","https://openalex.org/W2081912151","https://openalex.org/W2083748640","https://openalex.org/W2089693299","https://openalex.org/W2102377211","https://openalex.org/W2108777528","https://openalex.org/W2130000778","https://openalex.org/W2131859286","https://openalex.org/W2148786813","https://openalex.org/W2153263737","https://openalex.org/W2158131645","https://openalex.org/W2177359388","https://openalex.org/W2396765006"],"related_works":["https://openalex.org/W2056432267","https://openalex.org/W2004834660","https://openalex.org/W1975161148","https://openalex.org/W2127681768","https://openalex.org/W2084466443","https://openalex.org/W2156895236","https://openalex.org/W2028211718","https://openalex.org/W2077097504","https://openalex.org/W2025264200","https://openalex.org/W1979641354"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2015,"cited_by_count":4},{"year":2014,"cited_by_count":3},{"year":2013,"cited_by_count":2},{"year":2012,"cited_by_count":1}],"updated_date":"2026-06-19T15:47:20.252518","created_date":"2025-10-10T00:00:00"}