{"id":"https://openalex.org/W4416958749","doi":"https://doi.org/10.1016/j.molstruc.2025.144969","title":"Design, synthesis, antibacterial evaluation, and molecular modelling studies of 1,2,3-triazole-bridged hydroxycoumarin dimers as potential DNA gyrase and topoisomerase IV inhibitors","display_name":"Design, synthesis, antibacterial evaluation, and molecular modelling studies of 1,2,3-triazole-bridged hydroxycoumarin dimers as potential DNA gyrase and topoisomerase IV inhibitors","publication_year":2025,"publication_date":"2025-12-03","ids":{"openalex":"https://openalex.org/W4416958749","doi":"https://doi.org/10.1016/j.molstruc.2025.144969"},"language":"en","primary_location":{"id":"doi:10.1016/j.molstruc.2025.144969","doi":"https://doi.org/10.1016/j.molstruc.2025.144969","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.molstruc.2025.144969","pdf_url":null,"source":{"id":"https://openalex.org/S203479135","display_name":"Journal of Molecular Structure","issn_l":"0022-2860","issn":["0022-2860","1872-8014"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","jufo-1","ki-jl-1","norway-1"],"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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Molecular Structure","raw_type":"journal-article"},"volume":null,"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":"https://openalex.org/A5061084590","display_name":"Aanchal Khanna","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I165682329","display_name":"Guru Nanak Dev University","ror":"https://ror.org/05ghzpa93","country_code":"IN","type":"education","lineage":["https://openalex.org/I165682329"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Aanchal Khanna","raw_affiliation_strings":["Department of Pharmaceutical Sciences, Guru Nanak Dev University, Amritsar, Punjab, 143005, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences, Guru Nanak Dev University, Amritsar, Punjab, 143005, India","institution_ids":["https://openalex.org/I165682329"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5007941660","display_name":"Karanvir Singh","orcid":"https://orcid.org/0000-0001-7474-7068","observed_orcids":["https://orcid.org/0000-0001-7474-7068"]},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Karanvir Singh","raw_affiliation_strings":["Kwality Pharmaceuticals Ltd., Amritsar, Punjab, 143601, India"],"raw_orcid":"https://orcid.org/0000-0001-7474-7068","affiliations":[{"raw_affiliation_string":"Kwality Pharmaceuticals Ltd., Amritsar, Punjab, 143601, India","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5015979759","display_name":"Nitish Kumar","orcid":"https://orcid.org/0000-0001-5484-2447","observed_orcids":["https://orcid.org/0000-0001-5484-2447","https://orcid.org/0000-0003-1257-0054"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Nitish Kumar","raw_affiliation_strings":["Kwality Pharmaceuticals Ltd., Amritsar, Punjab, 143601, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Kwality Pharmaceuticals Ltd., Amritsar, Punjab, 143601, India","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5103948944","display_name":"Meenakshi Devi","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Meenakshi Devi","raw_affiliation_strings":["Kwality Pharmaceuticals Ltd., Amritsar, Punjab, 143601, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Kwality Pharmaceuticals Ltd., Amritsar, Punjab, 143601, India","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5075241111","display_name":"Himanshu Singh","orcid":"https://orcid.org/0000-0003-2087-3506","observed_orcids":["https://orcid.org/0000-0003-2087-3506"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Himanshu Singh","raw_affiliation_strings":["Kwality Pharmaceuticals Ltd., Amritsar, Punjab, 143601, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Kwality Pharmaceuticals Ltd., Amritsar, Punjab, 143601, India","institution_ids":[]}]},{"author_position":"middle","author":{"id":null,"display_name":"Alok Raj","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Alok Raj","raw_affiliation_strings":["Kwality Pharmaceuticals Ltd., Amritsar, Punjab, 143601, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Kwality Pharmaceuticals Ltd., Amritsar, Punjab, 143601, India","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5053032459","display_name":"Harsh Kumar","orcid":"https://orcid.org/0000-0003-2067-6633","observed_orcids":["https://orcid.org/0000-0003-2067-6633"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Harsh Kumar","raw_affiliation_strings":["Kwality Pharmaceuticals Ltd., Amritsar, Punjab, 143601, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Kwality Pharmaceuticals Ltd., Amritsar, Punjab, 143601, India","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5017999270","display_name":"Jyoti Jyoti","orcid":"https://orcid.org/0000-0002-2925-8289","observed_orcids":["https://orcid.org/0000-0002-2925-8289"]},"institutions":[{"id":"https://openalex.org/I165682329","display_name":"Guru Nanak Dev University","ror":"https://ror.org/05ghzpa93","country_code":"IN","type":"education","lineage":["https://openalex.org/I165682329"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Jyoti","raw_affiliation_strings":["Department of Pharmaceutical Sciences, Guru Nanak Dev University, Amritsar, Punjab, 143005, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences, Guru Nanak Dev University, Amritsar, Punjab, 143005, India","institution_ids":["https://openalex.org/I165682329"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5067974765","display_name":"Rupali Rana","orcid":"https://orcid.org/0000-0002-7316-9451","observed_orcids":["https://orcid.org/0000-0002-7316-9451"]},"institutions":[{"id":"https://openalex.org/I165682329","display_name":"Guru Nanak Dev University","ror":"https://ror.org/05ghzpa93","country_code":"IN","type":"education","lineage":["https://openalex.org/I165682329"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Rupali Rana","raw_affiliation_strings":["Department of Pharmaceutical Sciences, Guru Nanak Dev University, Amritsar, Punjab, 143005, India"],"raw_orcid":"https://orcid.org/0000-0002-7316-9451","affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences, Guru Nanak Dev University, Amritsar, Punjab, 143005, India","institution_ids":["https://openalex.org/I165682329"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Anchal Sharma","orcid":"https://orcid.org/0009-0008-0320-2077","observed_orcids":["https://orcid.org/0009-0008-0320-2077"]},"institutions":[{"id":"https://openalex.org/I165682329","display_name":"Guru Nanak Dev University","ror":"https://ror.org/05ghzpa93","country_code":"IN","type":"education","lineage":["https://openalex.org/I165682329"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Anchal Sharma","raw_affiliation_strings":["Department of Pharmaceutical Sciences, Guru Nanak Dev University, Amritsar, Punjab, 143005, India"],"raw_orcid":"https://orcid.org/0009-0008-0320-2077","affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences, Guru Nanak Dev University, Amritsar, Punjab, 143005, India","institution_ids":["https://openalex.org/I165682329"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5078584120","display_name":"Preet Mohinder Singh Bedi","orcid":"https://orcid.org/0000-0003-4121-3689","observed_orcids":["https://orcid.org/0000-0003-4121-3689"]},"institutions":[{"id":"https://openalex.org/I165682329","display_name":"Guru Nanak Dev University","ror":"https://ror.org/05ghzpa93","country_code":"IN","type":"education","lineage":["https://openalex.org/I165682329"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Preet Mohinder Singh Bedi","raw_affiliation_strings":["Department of Pharmaceutical Sciences, Guru Nanak Dev University, Amritsar, Punjab, 143005, India","Drug and Pollution Testing Lab, Guru Nanak Dev University, Amritsar, Punjab, 143005, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences, Guru Nanak Dev University, Amritsar, Punjab, 143005, India","institution_ids":["https://openalex.org/I165682329"]},{"raw_affiliation_string":"Drug and Pollution Testing Lab, Guru Nanak Dev University, Amritsar, Punjab, 143005, India","institution_ids":["https://openalex.org/I165682329"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5007941660","https://openalex.org/A5061084590","https://openalex.org/A5078584120"],"corresponding_institution_ids":["https://openalex.org/I165682329"],"apc_list":{"value":3360,"currency":"USD","value_usd":3360},"apc_paid":null,"fwci":0.5959,"has_fulltext":false,"cited_by_count":2,"citation_normalized_percentile":{"value":0.62114676,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":96,"max":97},"biblio":{"volume":"1355","issue":null,"first_page":"144969","last_page":"144969"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T14099","display_name":"Synthesis and Characterization of Heterocyclic Compounds","score":0.45730000734329224,"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/T14099","display_name":"Synthesis and Characterization of Heterocyclic Compounds","score":0.45730000734329224,"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/T11845","display_name":"Cancer therapeutics and mechanisms","score":0.2921999990940094,"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/T10274","display_name":"Synthesis and biological activity","score":0.08889999985694885,"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/antibacterial-agents","display_name":"antibacterial agents","score":0.7049999833106995},{"id":"https://openalex.org/keywords/dna-gyrase-inhibitors","display_name":"DNA gyrase inhibitors","score":0.9629999995231628},{"id":"https://openalex.org/keywords/topoisomerase-iv-inhibitors","display_name":"topoisomerase IV inhibitors","score":1.0},{"id":"https://openalex.org/keywords/copper-catalyzed-azide-alkyne-cycloaddition","display_name":"copper-catalyzed azide-alkyne cycloaddition","score":0.9390000104904175},{"id":"https://openalex.org/keywords/structure-activity-relationship","display_name":"structure-activity relationship","score":0.8560000061988831},{"id":"https://openalex.org/keywords/fluoroquinolone-resistance","display_name":"fluoroquinolone resistance","score":0.8159999847412109},{"id":"https://openalex.org/keywords/staphylococcus-epidermidis","display_name":"Staphylococcus epidermidis","score":0.871999979019165},{"id":"https://openalex.org/keywords/methicillin-resistant-staphylococcus-aureus","display_name":"methicillin-resistant Staphylococcus aureus","score":0.8709999918937683},{"id":"https://openalex.org/keywords/escherichia-coli","display_name":"Escherichia coli","score":0.902999997138977},{"id":"https://openalex.org/keywords/cytotoxicity","display_name":"cytotoxicity","score":0.8199999928474426},{"id":"https://openalex.org/keywords/admet-prediction","display_name":"ADMET prediction","score":0.8970000147819519},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.5559999942779541},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"molecular dynamics","score":0.828000009059906}],"concepts":[{"id":"https://openalex.org/C167125095","wikidata":"https://www.wikidata.org/wiki/Q70551687","display_name":"DNA gyrase","level":4,"score":0.9325000047683716},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.8956000208854675},{"id":"https://openalex.org/C147897179","wikidata":"https://www.wikidata.org/wiki/Q407828","display_name":"Topoisomerase","level":3,"score":0.6937999725341797},{"id":"https://openalex.org/C547475151","wikidata":"https://www.wikidata.org/wiki/Q25419","display_name":"Escherichia coli","level":3,"score":0.692799985408783},{"id":"https://openalex.org/C2780104969","wikidata":"https://www.wikidata.org/wiki/Q4774530","display_name":"Antibacterial activity","level":3,"score":0.6906999945640564},{"id":"https://openalex.org/C2777112418","wikidata":"https://www.wikidata.org/wiki/Q7824976","display_name":"Topoisomerase IV","level":5,"score":0.5432000160217285},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.5371000170707703},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.475600004196167},{"id":"https://openalex.org/C178910836","wikidata":"https://www.wikidata.org/wiki/Q2196961","display_name":"Molecular model","level":2,"score":0.45890000462532043},{"id":"https://openalex.org/C552990157","wikidata":"https://www.wikidata.org/wiki/Q7430","display_name":"DNA","level":2,"score":0.43149998784065247},{"id":"https://openalex.org/C2777272437","wikidata":"https://www.wikidata.org/wiki/Q131238","display_name":"Bacillus subtilis","level":3,"score":0.41589999198913574},{"id":"https://openalex.org/C3019249092","wikidata":"https://www.wikidata.org/wiki/Q274493","display_name":"Antibacterial agent","level":3,"score":0.41350001096725464},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.4124999940395355},{"id":"https://openalex.org/C2777949923","wikidata":"https://www.wikidata.org/wiki/Q131915","display_name":"Staphylococcus epidermidis","level":4,"score":0.37529999017715454},{"id":"https://openalex.org/C2778512257","wikidata":"https://www.wikidata.org/wiki/Q256602","display_name":"Ciprofloxacin","level":3,"score":0.3702000081539154},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.35850000381469727},{"id":"https://openalex.org/C4937899","wikidata":"https://www.wikidata.org/wiki/Q68541106","display_name":"Antimicrobial","level":2,"score":0.3321000039577484},{"id":"https://openalex.org/C2777637488","wikidata":"https://www.wikidata.org/wiki/Q31856","display_name":"Pseudomonas aeruginosa","level":3,"score":0.32589998841285706},{"id":"https://openalex.org/C2778616834","wikidata":"https://www.wikidata.org/wiki/Q281044","display_name":"Topoisomerase inhibitor","level":4,"score":0.32010000944137573},{"id":"https://openalex.org/C193042331","wikidata":"https://www.wikidata.org/wiki/Q1772003","display_name":"Structure\u2013activity relationship","level":3,"score":0.3057999908924103},{"id":"https://openalex.org/C523546767","wikidata":"https://www.wikidata.org/wiki/Q10876","display_name":"Bacteria","level":2,"score":0.30329999327659607},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.3019999861717224},{"id":"https://openalex.org/C2777752112","wikidata":"https://www.wikidata.org/wiki/Q903238","display_name":"Lead compound","level":3,"score":0.29280000925064087},{"id":"https://openalex.org/C133936738","wikidata":"https://www.wikidata.org/wiki/Q643839","display_name":"Multiple drug resistance","level":3,"score":0.2883000075817108},{"id":"https://openalex.org/C2779489039","wikidata":"https://www.wikidata.org/wiki/Q188121","display_name":"Staphylococcus aureus","level":3,"score":0.28610000014305115},{"id":"https://openalex.org/C204921945","wikidata":"https://www.wikidata.org/wiki/Q899689","display_name":"Side chain","level":3,"score":0.2849000096321106},{"id":"https://openalex.org/C143425029","wikidata":"https://www.wikidata.org/wiki/Q5205747","display_name":"DNA damage","level":3,"score":0.2815999984741211},{"id":"https://openalex.org/C158456008","wikidata":"https://www.wikidata.org/wiki/Q412639","display_name":"DNA supercoil","level":4,"score":0.27459999918937683},{"id":"https://openalex.org/C2778049240","wikidata":"https://www.wikidata.org/wiki/Q411447","display_name":"Ofloxacin","level":4,"score":0.25130000710487366}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/j.molstruc.2025.144969","doi":"https://doi.org/10.1016/j.molstruc.2025.144969","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.molstruc.2025.144969","pdf_url":null,"source":{"id":"https://openalex.org/S203479135","display_name":"Journal of Molecular Structure","issn_l":"0022-2860","issn":["0022-2860","1872-8014"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","jufo-1","ki-jl-1","norway-1"],"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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Molecular Structure","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","score":0.6240000128746033,"display_name":"Good health and well-being"}],"sustainable_development_goals_aurora":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G3700968317","display_name":null,"funder_award_id":"BT/PR/40226/BTIS/137/66/2023","funder_id":"https://openalex.org/F4320320717","funder_display_name":"Department of Biotechnology, Ministry of Science and Technology, India"}],"funders":[{"id":"https://openalex.org/F4320320717","display_name":"Department of Biotechnology, Ministry of Science and Technology, India","ror":"https://ror.org/03tjsyq23"},{"id":"https://openalex.org/F4320320719","display_name":"Department of Science and Technology, Ministry of Science and Technology, India","ror":"https://ror.org/0101xrq71"},{"id":"https://openalex.org/F4320334771","display_name":"Science and Engineering Research Board","ror":"https://ror.org/03ffdsr55"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":47,"referenced_works":["https://openalex.org/W2001243940","https://openalex.org/W2119597062","https://openalex.org/W2126620965","https://openalex.org/W2136951774","https://openalex.org/W2256576087","https://openalex.org/W2303209200","https://openalex.org/W2590219617","https://openalex.org/W2790750213","https://openalex.org/W2793579056","https://openalex.org/W2804617846","https://openalex.org/W2883448938","https://openalex.org/W3002522604","https://openalex.org/W3043487380","https://openalex.org/W3080641067","https://openalex.org/W3119990533","https://openalex.org/W3194188670","https://openalex.org/W3209603403","https://openalex.org/W4206677002","https://openalex.org/W4212904473","https://openalex.org/W4308487896","https://openalex.org/W4315778281","https://openalex.org/W4361269623","https://openalex.org/W4380607907","https://openalex.org/W4384273942","https://openalex.org/W4392349824","https://openalex.org/W4392762094","https://openalex.org/W4393550506","https://openalex.org/W4393945013","https://openalex.org/W4396228206","https://openalex.org/W4402177697","https://openalex.org/W4402442302","https://openalex.org/W4403458175","https://openalex.org/W4404233100","https://openalex.org/W4405701910","https://openalex.org/W4407124842","https://openalex.org/W4407870077","https://openalex.org/W4408535190","https://openalex.org/W4410134883","https://openalex.org/W4410928211","https://openalex.org/W4411216090","https://openalex.org/W4412510279","https://openalex.org/W4412728414","https://openalex.org/W4413107054","https://openalex.org/W4413266413","https://openalex.org/W4413641306","https://openalex.org/W4414016387","https://openalex.org/W4414293358"],"related_works":[],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":2}],"updated_date":"2026-09-29T14:09:16.559479","created_date":"2025-12-03T00:00:00"}
