{"id":"https://openalex.org/W4394599648","doi":"https://doi.org/10.1016/j.heliyon.2024.e29390","title":"Design, synthesis, biological and computational screening of novel pyridine-based thiadiazole derivatives as prospective anti-inflammatory agents","display_name":"Design, synthesis, biological and computational screening of novel pyridine-based thiadiazole derivatives as prospective anti-inflammatory agents","publication_year":2024,"publication_date":"2024-04-01","ids":{"openalex":"https://openalex.org/W4394599648","doi":"https://doi.org/10.1016/j.heliyon.2024.e29390","pmid":"https://pubmed.ncbi.nlm.nih.gov/38655368","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/11036016"},"language":"en","primary_location":{"id":"doi:10.1016/j.heliyon.2024.e29390","doi":"https://doi.org/10.1016/j.heliyon.2024.e29390","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.heliyon.2024.e29390","pdf_url":null,"source":{"id":"https://openalex.org/S2898612692","display_name":"Heliyon","issn_l":"2405-8440","issn":["2405-8440"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","doaj","dongbi-c","ki-jl-1","norway-1","poland-40","vabb-shw"],"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","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Heliyon","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://doi.org/10.1016/j.heliyon.2024.e29390","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5043131403","display_name":"Podila Naresh","orcid":"https://orcid.org/0000-0001-7074-5102","observed_orcids":["https://orcid.org/0000-0001-7074-5102"]},"institutions":[{"id":"https://openalex.org/I149313025","display_name":"Vignan's Foundation for Science, Technology & Research","ror":"https://ror.org/03bzf1g85","country_code":"IN","type":"education","lineage":["https://openalex.org/I149313025"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Naresh Podila","raw_affiliation_strings":["Department of Pharmaceutical Sciences, School of Biotechnology and Pharmaceutical Sciences, Vignan's Foundation for Science, Technology & Research, Vadlamudi, Guntur, 522213, Andhra Pradesh, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences, School of Biotechnology and Pharmaceutical Sciences, Vignan's Foundation for Science, Technology & Research, Vadlamudi, Guntur, 522213, Andhra Pradesh, India","institution_ids":["https://openalex.org/I149313025"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5095065245","display_name":"Naveen Kumar Penddinti","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Naveen Kumar Penddinti","raw_affiliation_strings":["Vikas College of Pharmaceutical Sciences, Suryapet, Telangana, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Vikas College of Pharmaceutical Sciences, Suryapet, Telangana, India","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5038721436","display_name":"Mithun Rudrapal","orcid":"https://orcid.org/0000-0002-8172-6633","observed_orcids":["https://orcid.org/0000-0002-8172-6633"]},"institutions":[{"id":"https://openalex.org/I149313025","display_name":"Vignan's Foundation for Science, Technology & Research","ror":"https://ror.org/03bzf1g85","country_code":"IN","type":"education","lineage":["https://openalex.org/I149313025"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Mithun Rudrapal","raw_affiliation_strings":["Department of Pharmaceutical Sciences, School of Biotechnology and Pharmaceutical Sciences, Vignan's Foundation for Science, Technology & Research, Vadlamudi, Guntur, 522213, Andhra Pradesh, India"],"raw_orcid":"https://orcid.org/0000-0002-8172-6633","affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences, School of Biotechnology and Pharmaceutical Sciences, Vignan's Foundation for Science, Technology & Research, Vadlamudi, Guntur, 522213, Andhra Pradesh, India","institution_ids":["https://openalex.org/I149313025"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5021576611","display_name":"Gourav Rakshit","orcid":"https://orcid.org/0000-0003-1341-7289","observed_orcids":["https://orcid.org/0000-0003-1341-7289"]},"institutions":[{"id":"https://openalex.org/I115715567","display_name":"Birla Institute of Technology, Mesra","ror":"https://ror.org/028vtqb15","country_code":"IN","type":"education","lineage":["https://openalex.org/I115715567"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Gourav Rakshit","raw_affiliation_strings":["Department of Pharmaceutical Sciences & Technology, Birla Institute of Technology, Mesra, India, Ranchi, 835215, Jharkhand, India"],"raw_orcid":"https://orcid.org/0000-0003-1341-7289","affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences & Technology, Birla Institute of Technology, Mesra, India, Ranchi, 835215, Jharkhand, India","institution_ids":["https://openalex.org/I115715567"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5018250759","display_name":"Sathish Kumar Konidala","orcid":"https://orcid.org/0000-0002-8250-3570","observed_orcids":["https://orcid.org/0000-0002-8250-3570"]},"institutions":[{"id":"https://openalex.org/I149313025","display_name":"Vignan's Foundation for Science, Technology & Research","ror":"https://ror.org/03bzf1g85","country_code":"IN","type":"education","lineage":["https://openalex.org/I149313025"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Sathish Kumar Konidala","raw_affiliation_strings":["Department of Pharmaceutical Sciences, School of Biotechnology and Pharmaceutical Sciences, Vignan's Foundation for Science, Technology & Research, Vadlamudi, Guntur, 522213, Andhra Pradesh, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences, School of Biotechnology and Pharmaceutical Sciences, Vignan's Foundation for Science, Technology & Research, Vadlamudi, Guntur, 522213, Andhra Pradesh, India","institution_ids":["https://openalex.org/I149313025"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5028736898","display_name":"Veera Shakar Pulusu","orcid":"https://orcid.org/0000-0003-1801-6388","observed_orcids":["https://orcid.org/0000-0003-1801-6388"]},"institutions":[{"id":"https://openalex.org/I4210106879","display_name":"Ohio University","ror":"https://ror.org/01jr3y717","country_code":"US","type":"education","lineage":["https://openalex.org/I4210106879"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Veera Shakar Pulusu","raw_affiliation_strings":["Ohio University, Department of Chemistry & Biochemistry, Athens, OH, USA, 45701"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Ohio University, Department of Chemistry & Biochemistry, Athens, OH, USA, 45701","institution_ids":["https://openalex.org/I4210106879"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5040006278","display_name":"Richie Rashmin Bhandare","orcid":"https://orcid.org/0000-0003-1221-3962","observed_orcids":["https://orcid.org/0000-0003-1221-3962"]},"institutions":[{"id":"https://openalex.org/I182000528","display_name":"Ajman University","ror":"https://ror.org/01j1rma10","country_code":"AE","type":"education","lineage":["https://openalex.org/I182000528"]}],"countries":["AE"],"is_corresponding":true,"raw_author_name":"Richie R. Bhandare","raw_affiliation_strings":["Centre of Medical and Bio-allied Health Sciences Research, Ajman University, P O Box 346, Ajman, United Arab Emirates","Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences, Ajman University, P O Box 346, Ajman, United Arab Emirates"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Centre of Medical and Bio-allied Health Sciences Research, Ajman University, P O Box 346, Ajman, United Arab Emirates","institution_ids":["https://openalex.org/I182000528"]},{"raw_affiliation_string":"Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences, Ajman University, P O Box 346, Ajman, United Arab Emirates","institution_ids":["https://openalex.org/I182000528"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5033627085","display_name":"AFZAL BASHA SHAIK","orcid":"https://orcid.org/0000-0002-9036-1963","observed_orcids":["https://orcid.org/0000-0002-9036-1963"]},"institutions":[{"id":"https://openalex.org/I142809039","display_name":"Jawaharlal Nehru Technological University, Kakinada","ror":"https://ror.org/05s9t8c95","country_code":"IN","type":"education","lineage":["https://openalex.org/I142809039"]},{"id":"https://openalex.org/I85461943","display_name":"Saveetha University","ror":"https://ror.org/0034me914","country_code":"IN","type":"education","lineage":["https://openalex.org/I85461943"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Afzal B. Shaik","raw_affiliation_strings":["Center for Global Health Research, Saveetha Medical College, Saveetha Institute of Medical and Technical Sciences, India","St. Mary's College of Pharmacy, St. Mary's Group of Institutions Guntur, Affiliated to Jawaharlal Nehru Technological University Kakinada, Chebrolu, Guntur, 522212, Andhra Pradesh, India"],"raw_orcid":"https://orcid.org/0000-0002-9036-1963","affiliations":[{"raw_affiliation_string":"Center for Global Health Research, Saveetha Medical College, Saveetha Institute of Medical and Technical Sciences, India","institution_ids":["https://openalex.org/I85461943"]},{"raw_affiliation_string":"St. Mary's College of Pharmacy, St. Mary's Group of Institutions Guntur, Affiliated to Jawaharlal Nehru Technological University Kakinada, Chebrolu, Guntur, 522212, Andhra Pradesh, India","institution_ids":["https://openalex.org/I142809039"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5018250759","https://openalex.org/A5033627085","https://openalex.org/A5040006278"],"corresponding_institution_ids":["https://openalex.org/I142809039","https://openalex.org/I149313025","https://openalex.org/I182000528","https://openalex.org/I85461943"],"apc_list":{"value":2100,"currency":"USD","value_usd":2100},"apc_paid":{"value":2100,"currency":"USD","value_usd":2100},"fwci":4.9472,"has_fulltext":true,"cited_by_count":36,"citation_normalized_percentile":{"value":0.97225507,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":98,"max":100},"biblio":{"volume":"10","issue":"8","first_page":"e29390","last_page":"e29390"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12410","display_name":"Structural and Chemical Analysis of Organic and Inorganic Compounds","score":0.6718999743461609,"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/T12410","display_name":"Structural and Chemical Analysis of Organic and Inorganic Compounds","score":0.6718999743461609,"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/T10274","display_name":"Heterocyclic Compound Synthesis and Bioactivity","score":0.28610000014305115,"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/T14099","display_name":"Synthesis and Characterization of Heterocyclic Compounds","score":0.012500000186264515,"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/1-3-4-thiadiazoles","display_name":"1,3,4-thiadiazoles","score":0.8899999856948853},{"id":"https://openalex.org/keywords/anti-inflammatory-agents","display_name":"anti-inflammatory agents","score":0.9390000104904175},{"id":"https://openalex.org/keywords/cox-2-inhibition","display_name":"COX-2 inhibition","score":0.9229999780654907},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.6690000295639038},{"id":"https://openalex.org/keywords/molecular-dynamics-simulation","display_name":"molecular dynamics simulation","score":0.9660000205039978},{"id":"https://openalex.org/keywords/acute-toxicity","display_name":"acute toxicity","score":0.7289999723434448},{"id":"https://openalex.org/keywords/drug-likeness","display_name":"drug-likeness","score":0.6809999942779541},{"id":"https://openalex.org/keywords/structure-activity-relationship","display_name":"structure-activity relationship","score":0.7839999794960022}],"concepts":[{"id":"https://openalex.org/C2779703632","wikidata":"https://www.wikidata.org/wiki/Q581996","display_name":"Anti-inflammatory","level":2,"score":0.5294021368026733},{"id":"https://openalex.org/C2779485729","wikidata":"https://www.wikidata.org/wiki/Q210385","display_name":"Pyridine","level":2,"score":0.5197983980178833},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.5047715902328491},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.40632838010787964},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.3712499439716339},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.2932581901550293},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.28915172815322876}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.1016/j.heliyon.2024.e29390","doi":"https://doi.org/10.1016/j.heliyon.2024.e29390","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.heliyon.2024.e29390","pdf_url":null,"source":{"id":"https://openalex.org/S2898612692","display_name":"Heliyon","issn_l":"2405-8440","issn":["2405-8440"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","doaj","dongbi-c","ki-jl-1","norway-1","poland-40","vabb-shw"],"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","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Heliyon","raw_type":"journal-article"},{"id":"pmh:oai:pubmedcentral.nih.gov:11036016","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/11036016","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC11036016/pdf/main.pdf","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-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Heliyon","raw_type":"Text"},{"id":"pmid:38655368","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/38655368","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":"Heliyon","raw_type":"Journal Article"},{"id":"pmh:oai:doaj.org/article:c4320ad0c6ac4c3ca28d928919e1bd40","doi":null,"is_oa":true,"landing_page_url":"https://doaj.org/article/c4320ad0c6ac4c3ca28d928919e1bd40","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":"Heliyon, Vol 10, Iss 8, Pp e29390- (2024)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.1016/j.heliyon.2024.e29390","doi":"https://doi.org/10.1016/j.heliyon.2024.e29390","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.heliyon.2024.e29390","pdf_url":null,"source":{"id":"https://openalex.org/S2898612692","display_name":"Heliyon","issn_l":"2405-8440","issn":["2405-8440"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","doaj","dongbi-c","ki-jl-1","norway-1","poland-40","vabb-shw"],"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","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Heliyon","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being","score":0.9391000270843506}],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320326318","display_name":"Vignan's Foundation for Science, Technology and Research","ror":"https://ror.org/03bzf1g85"},{"id":"https://openalex.org/F4320330328","display_name":"Ajman University","ror":"https://ror.org/01j1rma10"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4394599648.pdf","grobid_xml":"https://content.openalex.org/works/W4394599648.grobid-xml"},"referenced_works_count":80,"referenced_works":["https://openalex.org/W839507343","https://openalex.org/W1170512841","https://openalex.org/W1950491041","https://openalex.org/W1964723859","https://openalex.org/W1981819970","https://openalex.org/W2009397812","https://openalex.org/W2017835622","https://openalex.org/W2027428161","https://openalex.org/W2042947108","https://openalex.org/W2046542967","https://openalex.org/W2051381895","https://openalex.org/W2060079863","https://openalex.org/W2065492796","https://openalex.org/W2067715949","https://openalex.org/W2068677696","https://openalex.org/W2071233202","https://openalex.org/W2084922348","https://openalex.org/W2121200682","https://openalex.org/W2124490347","https://openalex.org/W2130479394","https://openalex.org/W2130892245","https://openalex.org/W2139064886","https://openalex.org/W2162930446","https://openalex.org/W2179425537","https://openalex.org/W2188132360","https://openalex.org/W2215548764","https://openalex.org/W2274841233","https://openalex.org/W2333671104","https://openalex.org/W2415173052","https://openalex.org/W2515967718","https://openalex.org/W2530165911","https://openalex.org/W2573662125","https://openalex.org/W2593436234","https://openalex.org/W2781818041","https://openalex.org/W2791182838","https://openalex.org/W2808597597","https://openalex.org/W2810664807","https://openalex.org/W2892040378","https://openalex.org/W2907659340","https://openalex.org/W2921427838","https://openalex.org/W2980804201","https://openalex.org/W2985636042","https://openalex.org/W2989868259","https://openalex.org/W2990714382","https://openalex.org/W2998395862","https://openalex.org/W3006271917","https://openalex.org/W3025044551","https://openalex.org/W3081990148","https://openalex.org/W3083350277","https://openalex.org/W3088617420","https://openalex.org/W3095921501","https://openalex.org/W3106259812","https://openalex.org/W3117963022","https://openalex.org/W3127723521","https://openalex.org/W3163924226","https://openalex.org/W3173897924","https://openalex.org/W3178350201","https://openalex.org/W3183246366","https://openalex.org/W3198600427","https://openalex.org/W3205136031","https://openalex.org/W3207905715","https://openalex.org/W3213343485","https://openalex.org/W4214491625","https://openalex.org/W4214542012","https://openalex.org/W4221084257","https://openalex.org/W4247259426","https://openalex.org/W4280560043","https://openalex.org/W4283033514","https://openalex.org/W4285010763","https://openalex.org/W4293206797","https://openalex.org/W4296849223","https://openalex.org/W4297546905","https://openalex.org/W4307044034","https://openalex.org/W4311633439","https://openalex.org/W4313244961","https://openalex.org/W4327546781","https://openalex.org/W4384929201","https://openalex.org/W4385336970","https://openalex.org/W6770576580","https://openalex.org/W6800851386"],"related_works":["https://openalex.org/W4400925707","https://openalex.org/W7125785505","https://openalex.org/W3016279233","https://openalex.org/W2002911498","https://openalex.org/W7160155108","https://openalex.org/W4410813838","https://openalex.org/W4220885652","https://openalex.org/W2141300353","https://openalex.org/W4225847556","https://openalex.org/W1986940639"],"abstract_inverted_index":{"In":[0],"this":[1],"study,":[2],"a":[3,210,244],"novel":[4,311],"series":[5],"of":[6,25,33,91,178,234,252,259,310],"pyridine-based":[7],"thiadiazole":[8],"derivatives":[9,24],"(":[10],"NTD1-NTD5":[11],")":[12],"were":[13,39,185,266],"synthesized":[14,37],"as":[15,105,209,243,291,293],"prospective":[16],"anti-inflammatory":[17,64,86,109,176,246,312],"agents":[18],"by":[19,41,231],"combining":[20],"substituted":[21],"carboxylic":[22],"acid":[23,102],"5-substituted-2-amino-1,3,4-thiadiazole":[26],"with":[27,150],"nicotinoyl":[28],"isothiocyanate":[29],"in":[30,57,121,167,170],"the":[31,53,67,89,92,106,112,151,174,193,197,200,260,281,285,296,305,308],"presence":[32],"acetone.":[34],"The":[35,136,203,248],"newly":[36],"compounds":[38,54],"characterized":[40],"FTIR,":[42],"1":[43],"H":[44],"NMR,":[45,48],"13":[46],"C":[47],"and":[49,63,66,77,84,143,156,169,199,219,237,288,318],"mass":[50],"spectrometry.":[51],"First,":[52],"underwent":[55],"rigorous":[56],"vivo":[58,168],"testing":[59],"for":[60,307],"acute":[61,82],"toxicity":[62,83],"activity":[65,216],"results":[68,204],"revealed":[69],"that":[70,140,257],"three":[71],"compounds-":[72],"NTD1":[73],",":[74,76,79,98,142,145],"NTD2":[75,141],"NTD3":[78,97,144,206,240,253],"displayed":[80],"no":[81],"significant":[85],"activity,":[87,290],"surpassing":[88],"efficacy":[90,317],"standard":[93],"drug,":[94],"diclofenac.":[95],"Notably,":[96],"which":[99],"featured":[100],"benzoic":[101],"substitution,":[103],"emerged":[104],"most":[107,258],"potent":[108,214],"agent":[110],"among":[111],"screened":[113],"compounds.":[114],"To":[115],"further":[116,229,275],"validate":[117],"these":[118,179,271],"findings,":[119],"an":[120],"silico":[122,171],"docking":[123],"study":[124,303],"was":[125,228],"carried":[126],"out":[127],"against":[128],"COX-2":[129],"bound":[130],"to":[131,160,191,279,294],"diclofenac":[132,161],"(PDB":[133],"ID:":[134],"1pxx).":[135],"computational":[137],"analysis":[138,251],"demonstrated":[139],"exhibited":[146],"substantial":[147],"binding":[148,153],"affinity,":[149],"lowest":[152],"energies":[154],"(\u22128.5":[155],"\u22128.4,":[157],"kcal/mol)":[158],"compared":[159],"(\u22128.4":[162],"kcal/mol).":[163],"This":[164,227,302],"alignment":[165],"between":[166,196,284],"data":[172],"supported":[173],"robust":[175],"potential":[177,242],"derivatives.":[180],"Moreover,":[181],"molecular":[182],"dynamics":[183],"simulations":[184],"conducted,":[186],"extending":[187],"over":[188],"100":[189],"ns,":[190],"examine":[192],"dynamic":[194],"interactions":[195],"ligands":[198],"target":[201],"protein.":[202],"solidified":[205],"'s":[207,241],"position":[208],"leading":[211],"candidate,":[212],"showing":[213],"inhibitory":[215],"through":[217,254],"strong":[218],"sustained":[220],"interactions,":[221],"including":[222,263],"stable":[223],"hydrogen":[224],"bond":[225],"formations.":[226],"confirmed":[230],"RMSD":[232],"values":[233],"2-2.5":[235],"\u00c5":[236],"2-3\u01fa,":[238],"reinforcing":[239],"useful":[245],"agent.":[247],"drug":[249],"likeness":[250],"SwissADME":[255],"indicated":[256],"predicted":[261],"parameters":[262],"Lipinski":[264],"rule":[265],"within":[267],"acceptable":[268],"limits.":[269],"While":[270],"findings":[272],"are":[273],"promising,":[274],"research":[276],"is":[277],"necessary":[278],"elucidate":[280],"precise":[282],"relationships":[283],"chemical":[286],"structures":[287],"their":[289,299],"well":[292],"understand":[295],"mechanisms":[297],"underlying":[298],"pharmacological":[300],"effects.":[301],"lays":[304],"foundation":[306],"development":[309],"therapeutics,":[313],"potentially":[314],"offering":[315],"improved":[316],"safety":[319],"profiles.":[320]},"counts_by_year":[{"year":2026,"cited_by_count":8},{"year":2025,"cited_by_count":20},{"year":2024,"cited_by_count":8}],"updated_date":"2026-11-10T11:39:43.021295","created_date":"2024-04-10T00:00:00"}