{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,15]],"date-time":"2026-04-15T18:06:12Z","timestamp":1776276372312,"version":"3.50.1"},"reference-count":95,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2025,3,1]],"date-time":"2025-03-01T00:00:00Z","timestamp":1740787200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2025,3,1]],"date-time":"2025-03-01T00:00:00Z","timestamp":1740787200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2025,3,1]],"date-time":"2025-03-01T00:00:00Z","timestamp":1740787200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2025,3,1]],"date-time":"2025-03-01T00:00:00Z","timestamp":1740787200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2025,3,1]],"date-time":"2025-03-01T00:00:00Z","timestamp":1740787200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2025,3,1]],"date-time":"2025-03-01T00:00:00Z","timestamp":1740787200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2025,3,1]],"date-time":"2025-03-01T00:00:00Z","timestamp":1740787200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Bioorganic Chemistry"],"published-print":{"date-parts":[[2025,3]]},"DOI":"10.1016\/j.bioorg.2025.108218","type":"journal-article","created":{"date-parts":[[2025,1,27]],"date-time":"2025-01-27T11:09:25Z","timestamp":1737976165000},"page":"108218","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":8,"special_numbering":"C","title":["Novel Pyrrolidine-bearing quinoxaline inhibitors of DNA Gyrase, RNA polymerase and spike glycoprotein"],"prefix":"10.1016","volume":"156","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-5877-0671","authenticated-orcid":false,"given":"Maha A.","family":"Ebrahim","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2485-5479","authenticated-orcid":false,"given":"Triveena M.","family":"Ramsis","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6442-7762","authenticated-orcid":false,"given":"Nirvana A.","family":"Gohar","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Shimaa A.","family":"metwally","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Areej","family":"Rushdi","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Eman A.","family":"Fayed","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"78","reference":[{"key":"10.1016\/j.bioorg.2025.108218_b0005","doi-asserted-by":"crossref","first-page":"9","DOI":"10.1016\/j.cmi.2020.09.025","article-title":"Understanding the role of bacterial and fungal infection in COVID-19","volume":"27","author":"Rawson","year":"2021","journal-title":"Clin. Microbiol. Infect."},{"key":"10.1016\/j.bioorg.2025.108218_b0010","doi-asserted-by":"crossref","first-page":"1615","DOI":"10.3390\/ph16111615","article-title":"Origin of Antibiotics and Antibiotic Resistance, and Their Impacts on Drug Development: A Narrative Review","volume":"16","author":"Muteeb","year":"2023","journal-title":"Pharmaceuticals"},{"key":"10.1016\/j.bioorg.2025.108218_b0015","doi-asserted-by":"crossref","first-page":"369","DOI":"10.1016\/j.jiph.2016.08.007","article-title":"Antibiotic resistance","volume":"10","author":"Frieri","year":"2017","journal-title":"J. Infect. Public Health"},{"key":"10.1016\/j.bioorg.2025.108218_b0020","doi-asserted-by":"crossref","first-page":"6765","DOI":"10.1007\/s11164-017-3019-z","article-title":"New chalcones bearing isatin scaffold: synthesis, molecular modeling and biological evaluation as anticancer agents","volume":"43","author":"Ammar","year":"2017","journal-title":"Res. Chem. Intermed."},{"key":"10.1016\/j.bioorg.2025.108218_b0025","doi-asserted-by":"crossref","first-page":"2269","DOI":"10.1007\/s00044-023-03148-1","article-title":"Synthetic coumarin derivatives with anticoagulation and antiplatelet aggregation inhibitory effects","volume":"32","author":"Ramsis","year":"2023","journal-title":"Med. Chem. Res."},{"key":"10.1016\/j.bioorg.2025.108218_b0030","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2023.136663","article-title":"Pyrano-coumarin hybrids as potential antimicrobial agents against MRSA strains: Design, synthesis, ADMET, molecular docking studies, as DNA gyrase inhibitors","volume":"1295","author":"Fayed","year":"2024","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.bioorg.2025.108218_b0035","doi-asserted-by":"crossref","first-page":"24287","DOI":"10.1039\/D4RA03865G","article-title":"The role of current synthetic and possible plant and marine phytochemical compounds in the treatment of acne","volume":"14","author":"Ramsis","year":"2024","journal-title":"RSC Adv."},{"key":"10.1016\/j.bioorg.2025.108218_b0040","first-page":"1241","article-title":"Design, Synthesis, and biological evaluation of a novel series of thiazole derivatives based on pyrazoline as anticancer agents","volume":"65","author":"Fathy","year":"2022","journal-title":"Egypt. J. Chem."},{"key":"10.1016\/j.bioorg.2025.108218_b0045","doi-asserted-by":"crossref","unstructured":"S.E. Desouky, M. Abu-Elghait, E.A. Fayed, B. Yousuf, and K. Sonomoto, \u201cSecondary Metabolites of Actinomycetales as Potent Quorum Sensing Inhibitors Targeting Gram-Positive Pathogens: In Vitro and In Silico Study\u201d, Metabolites, 12(3), 246, 2022.","DOI":"10.3390\/metabo12030246"},{"key":"10.1016\/j.bioorg.2025.108218_b0050","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2022.133578","article-title":"Evaluation of quinoxaline derivatives as potential ergosterol biosynthesis inhibitors: design, synthesis, ADMET, molecular docking studies, and antifungal activities","volume":"1267","author":"Fayed","year":"2022","journal-title":"J. Mol. Struct."},{"issue":"13","key":"10.1016\/j.bioorg.2025.108218_b0055","first-page":"77","article-title":"Synthesis, characterization and pharmacological evaluation of some new 1,4-diazepine derivatives as anticancer agents","volume":"8","author":"Fayed","year":"2016","journal-title":"Der Pharma Chemica"},{"key":"10.1016\/j.bioorg.2025.108218_b0060","doi-asserted-by":"crossref","DOI":"10.1080\/14756366.2024.2367128","article-title":"Fluorinated indeno-quinoxaline bearing thiazole moieties as hypoglycaemic agents targeting \u03b1-amylase, and \u03b1-glucosidase: synthesis, molecular docking, and ADMET studies","volume":"39","author":"Gohar","year":"2024","journal-title":"J. Enzyme Inhib. Med. Chem."},{"key":"10.1016\/j.bioorg.2025.108218_b0065","doi-asserted-by":"crossref","first-page":"2784","DOI":"10.3390\/molecules25122784","article-title":"Quinoxaline derivatives as antiviral agents: a systematic review","volume":"25","author":"Montana","year":"2020","journal-title":"Molecules"},{"key":"10.1016\/j.bioorg.2025.108218_b0070","doi-asserted-by":"crossref","first-page":"542","DOI":"10.1016\/j.ejmech.2017.11.064","article-title":"Quinoxaline: An insight into the recent pharmacological advances","volume":"143","author":"Tariq","year":"2018","journal-title":"Eur. J. Med. Chem."},{"key":"10.1016\/j.bioorg.2025.108218_b0075","doi-asserted-by":"crossref","DOI":"10.1002\/ardp.202100454","article-title":"Upregulation of BAX and caspase-3, as well as downregulation of Bcl-2 during treatment with indeno[1,2-b]quinoxalin derivatives, mediated apoptosis in human cancer cells","volume":"355","author":"Fayed","year":"2022","journal-title":"Arch. Pharm."},{"key":"10.1016\/j.bioorg.2025.108218_b0080","doi-asserted-by":"crossref","DOI":"10.1016\/j.ejmcr.2022.100040","article-title":"Quinoxaline: A comprehension of current pharmacological advancement in medicinal chemistry","volume":"5","author":"Suthar","year":"2022","journal-title":"European Journal of Medicinal Chemistry Reports"},{"key":"10.1016\/j.bioorg.2025.108218_b0085","doi-asserted-by":"crossref","first-page":"927","DOI":"10.2174\/1389557521666210927123831","article-title":"Quinoxaline: A chemical moiety with spectrum of interesting biological activities","volume":"22","author":"Sharma","year":"2022","journal-title":"Mini Rev. Med. Chem."},{"key":"10.1016\/j.bioorg.2025.108218_b0090","doi-asserted-by":"crossref","first-page":"12","DOI":"10.4103\/WKMP-0110.170761","article-title":"Role of clofazimine in management of reactions in leprosy: A brief overview","volume":"1","author":"Pai","year":"2015","journal-title":"Indian Journal of Drugs in Dermatology"},{"key":"10.1016\/j.bioorg.2025.108218_b0095","doi-asserted-by":"crossref","first-page":"19","DOI":"10.3390\/scipharm89020019","article-title":"Clofazimine as a treatment for multidrug-resistant tuberculosis: a review","volume":"89","author":"Nugraha","year":"2021","journal-title":"Sci. Pharm."},{"key":"10.1016\/j.bioorg.2025.108218_b0100","doi-asserted-by":"crossref","first-page":"418","DOI":"10.1038\/s41586-021-03431-4","article-title":"Clofazimine broadly inhibits coronaviruses including SARS-CoV-2","volume":"593","author":"Yuan","year":"2021","journal-title":"Nature"},{"key":"10.1016\/j.bioorg.2025.108218_b0105","doi-asserted-by":"crossref","first-page":"579","DOI":"10.1038\/ja.2010.72","article-title":"In vitro and in vivo anti-Trypanosoma brucei activities of phenazinomycin and related compounds","volume":"63","author":"Otoguro","year":"2010","journal-title":"J. Antibiot."},{"key":"10.1016\/j.bioorg.2025.108218_b0110","doi-asserted-by":"crossref","unstructured":"F. Xu and J. A. McCauley, \u201cDiscovery and Chemical Development of Grazoprevir: An HCV NS3\/4a Protease Inhibitor for the Treatment of the Hepatitis C Virus Infection,\u201d in Complete Accounts of Integrated Drug Discovery and Development: Recent Examples from the Pharmaceutical Industry Volume 3. vol. 1369, ed: American Chemical Society, 2020, pp. 285-312.","DOI":"10.1021\/bk-2020-1369.ch009"},{"key":"10.1016\/j.bioorg.2025.108218_b0115","doi-asserted-by":"crossref","first-page":"4493","DOI":"10.2174\/1381612823666170522122424","article-title":"The Second-generation of Highly Potent Hepatitis C Virus (HCV) NS3\/4A Protease Inhibitors: Evolutionary Design Based on Tailor-made Amino Acids, Synthesis and Major Features of Bio-activity","volume":"23","author":"Wang","year":"2017","journal-title":"Curr. Pharm. Des."},{"key":"10.1016\/j.bioorg.2025.108218_b0120","doi-asserted-by":"crossref","first-page":"2428","DOI":"10.1016\/j.bmcl.2019.03.037","article-title":"Discovery of the pan-genotypic hepatitis C virus NS3\/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi\u00ae","volume":"29","author":"Taylor","year":"2019","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"10.1016\/j.bioorg.2025.108218_b0125","doi-asserted-by":"crossref","first-page":"11972","DOI":"10.1021\/acs.jmedchem.1c00554","article-title":"Discovery of Quinoxaline-Based P1\u2013P3 Macrocyclic NS3\/4A Protease Inhibitors with Potent Activity against Drug-Resistant Hepatitis C Virus Variants","volume":"64","author":"Nageswara Rao","year":"2021","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bioorg.2025.108218_b0130","doi-asserted-by":"crossref","first-page":"830","DOI":"10.3109\/14756366.2012.688043","article-title":"Synthesis and antimicrobial activity of some new hydrazone-bridged thiazole-pyrrole derivatives","volume":"28","author":"Yurtta\u015f","year":"2013","journal-title":"J. Enzyme Inhib. Med. Chem."},{"key":"10.1016\/j.bioorg.2025.108218_b0135","doi-asserted-by":"crossref","first-page":"2183","DOI":"10.1080\/14756366.2021.1984904","article-title":"Synthesis of novel pyrroles and fused pyrroles as antifungal and antibacterial agents","volume":"36","author":"Abd El-Hameed","year":"2021","journal-title":"J. Enzyme Inhib. Med. Chem."},{"key":"10.1016\/j.bioorg.2025.108218_b0140","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2020.129483","article-title":"Study of antimicrobial and antioxidant activities of pyrrole-chalcones","volume":"1228","author":"Rawat","year":"2021","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.bioorg.2025.108218_b0145","doi-asserted-by":"crossref","first-page":"41","DOI":"10.1016\/S0014-827X(01)01017-5","article-title":"Discovery of gemifloxacin (Factive, LB20304a): a quinolone of new a generation","volume":"56","author":"Hong","year":"2001","journal-title":"Il Farmaco"},{"key":"10.1016\/j.bioorg.2025.108218_b0150","doi-asserted-by":"crossref","first-page":"363","DOI":"10.1586\/14787210.1.3.363","article-title":"Moxifloxacin (Avelox\u00ae): a novel fluoroquinolone with a broad spectrum of activity","volume":"1","author":"Caeiro","year":"2003","journal-title":"Expert Rev. Anti Infect. Ther."},{"key":"10.1016\/j.bioorg.2025.108218_b0155","doi-asserted-by":"crossref","first-page":"153","DOI":"10.2169\/internalmedicine.2521-18","article-title":"Efficacy of vonoprazan for Helicobacter pylori eradication","volume":"59","author":"Kiyotoki","year":"2020","journal-title":"Intern. Med."},{"key":"10.1016\/j.bioorg.2025.108218_b0160","doi-asserted-by":"crossref","first-page":"2554","DOI":"10.3390\/pharmaceutics15112554","article-title":"The Role of Five-Membered Heterocycles in the Molecular Structure of Antibacterial Drugs Used in Therapy","volume":"15","author":"Rusu","year":"2023","journal-title":"Pharmaceutics"},{"key":"10.1016\/j.bioorg.2025.108218_b0165","doi-asserted-by":"crossref","first-page":"3313","DOI":"10.1016\/j.jksus.2020.09.016","article-title":"A new sulphur containing heterocycles having azo linkage: Synthesis, structural characterization and biological evaluation","volume":"32","author":"Matada","year":"2020","journal-title":"Journal of King Saud University-Science"},{"key":"10.1016\/j.bioorg.2025.108218_b0170","doi-asserted-by":"crossref","first-page":"4872","DOI":"10.3390\/molecules26164872","article-title":"Pyridine scaffolds, phenols and derivatives of azo moiety: current therapeutic perspectives","volume":"26","author":"Tahir","year":"2021","journal-title":"Molecules"},{"key":"10.1016\/j.bioorg.2025.108218_b0175","doi-asserted-by":"crossref","first-page":"25932","DOI":"10.1039\/D2RA04934A","article-title":"Synthesis and pharmacological activities of azo dye derivatives incorporating heterocyclic scaffolds: a review","volume":"12","author":"Mezgebe","year":"2022","journal-title":"RSC Adv."},{"key":"10.1016\/j.bioorg.2025.108218_b0180","doi-asserted-by":"crossref","first-page":"923","DOI":"10.1016\/j.biopha.2018.04.021","article-title":"DNA gyrase inhibitors: Progress and synthesis of potent compounds as antibacterial agents","volume":"103","author":"Khan","year":"2018","journal-title":"Biomed. Pharmacother."},{"key":"10.1016\/j.bioorg.2025.108218_b0185","doi-asserted-by":"crossref","DOI":"10.1371\/journal.pgen.1009085","article-title":"DNA supercoiling differences in bacteria result from disparate DNA gyrase activation by polyamines","volume":"16","author":"Duprey","year":"2020","journal-title":"PLoS Genet."},{"key":"10.1016\/j.bioorg.2025.108218_b0190","doi-asserted-by":"crossref","first-page":"327","DOI":"10.1517\/17460441.2012.660478","article-title":"Bacterial DNA replication enzymes as targets for antibacterial drug discovery","volume":"7","author":"Sanyal","year":"2012","journal-title":"Expert Opin. Drug Discov."},{"key":"10.1016\/j.bioorg.2025.108218_b0195","doi-asserted-by":"crossref","unstructured":"U. Bhalerao, A. K. Mavi, S. Manglic, Sakshi, S. Chowdhury, U. Kumar, et al., \u201cAn Updated Review on Influenza Viruses,\u201d in Emerging Human Viral Diseases, Volume I: Respiratory and Haemorrhagic Fever, P. L. Bhukya, S. T. Mhaske, and S. C. Sonkar, Eds., ed Singapore: Springer Nature Singapore, 2023, pp. 71-106.","DOI":"10.1007\/978-981-99-2820-0_2"},{"key":"10.1016\/j.bioorg.2025.108218_b0200","doi-asserted-by":"crossref","unstructured":"E. M. Abdelwhab and A. S. Abdel-Moneim, \u201cOrthomyxoviruses,\u201d in Recent Advances in Animal Virology, Y. S. Malik, R. K. Singh, and M. P. Yadav, Eds., ed Singapore: Springer Singapore, 2019, pp. 351-378.","DOI":"10.1007\/978-981-13-9073-9_19"},{"key":"10.1016\/j.bioorg.2025.108218_b0205","doi-asserted-by":"crossref","unstructured":"S. Kapoor and K. Dhama, \u201cPrevention and Control of Influenza Viruses,\u201d in Insight into Influenza Viruses of Animals and Humans, ed Cham: Springer International Publishing, 2014, pp. 163-216.","DOI":"10.1007\/978-3-319-05512-1_11"},{"key":"10.1016\/j.bioorg.2025.108218_b0210","doi-asserted-by":"crossref","first-page":"743","DOI":"10.1016\/j.ejmech.2018.08.032","article-title":"Synthesis and biological evaluation of a library of hybrid derivatives as inhibitors of influenza virus PA-PB1 interaction","volume":"157","author":"D'Agostino","year":"2018","journal-title":"Eur. J. Med. Chem."},{"key":"10.1016\/j.bioorg.2025.108218_b0215","doi-asserted-by":"crossref","first-page":"6263","DOI":"10.1021\/jm300455c","article-title":"Antivirals Targeting Influenza A Virus","volume":"55","author":"Das","year":"2012","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bioorg.2025.108218_b0220","doi-asserted-by":"crossref","first-page":"1753","DOI":"10.3390\/jcm9061753","article-title":"COVID-19: Specific and Non-Specific Clinical Manifestations and Symptoms: The Current State of Knowledge","volume":"9","author":"Baj","year":"2020","journal-title":"J. Clin. Med."},{"key":"10.1016\/j.bioorg.2025.108218_b0225","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1002\/ana.25807","article-title":"COVID-19: A Global Threat to the Nervous System","volume":"88","author":"Koralnik","year":"2020","journal-title":"Ann. Neurol."},{"key":"10.1016\/j.bioorg.2025.108218_b0230","doi-asserted-by":"crossref","first-page":"249","DOI":"10.1016\/j.bsheal.2021.07.003","article-title":"SARS-CoV-2 spike protein and RNA dependent RNA polymerase as targets for drug and vaccine development: A review","volume":"03","author":"Muhammed","year":"2021","journal-title":"Biosafety and Health"},{"key":"10.1016\/j.bioorg.2025.108218_b0235","doi-asserted-by":"crossref","first-page":"300","DOI":"10.1002\/jmv.26264","article-title":"RNA-dependent RNA polymerase of SARS-CoV-2 as a therapeutic target","volume":"93","author":"Wang","year":"2021","journal-title":"J. Med. Virol."},{"key":"10.1016\/j.bioorg.2025.108218_b0240","doi-asserted-by":"crossref","DOI":"10.1016\/j.bioorg.2020.104269","article-title":"Druggable targets of SARS-CoV-2 and treatment opportunities for COVID-19","volume":"104","author":"Faheem","year":"2020","journal-title":"Bioorg. Chem."},{"key":"10.1016\/j.bioorg.2025.108218_b0245","first-page":"259","article-title":"Cyanoacetamide derivatives as synthons in heterocyclic synthesis","volume":"32","author":"Fadda","year":"2008","journal-title":"Turk. J. Chem."},{"key":"10.1016\/j.bioorg.2025.108218_b0250","first-page":"130","article-title":"N-(Furan-2-ylmethyl) cyanoacetamide in heterocyclic synthesis: synthesis of novel antimicrobial agents encompassing furan, pyridine, chromene, and chromenopyridine moieties","volume":"7","author":"Farag","year":"2015","journal-title":"Der Pharma Chem"},{"key":"10.1016\/j.bioorg.2025.108218_b0255","doi-asserted-by":"crossref","unstructured":"T. Singh, S. Sharma, V. Srivastava, and A. Kumar, \u201cSynthesis and pesticidal activities of some substituted pyridine derivatives,\u201d 2006.","DOI":"10.1002\/chin.200641131"},{"key":"10.1016\/j.bioorg.2025.108218_b0260","doi-asserted-by":"crossref","first-page":"6087","DOI":"10.1016\/j.bmc.2011.08.037","article-title":"Design, synthesis and vasorelaxant evaluation of novel coumarin\u2013pyrimidine hybrids","volume":"19","author":"Amin","year":"2011","journal-title":"Bioorg. Med. Chem."},{"key":"10.1016\/j.bioorg.2025.108218_b0265","doi-asserted-by":"crossref","first-page":"10902","DOI":"10.3390\/molecules170910902","article-title":"Synthesis of a New Series of Pyridine and fused pyridine derivatives","volume":"17","author":"Al-Issa","year":"2012","journal-title":"Molecules"},{"key":"10.1016\/j.bioorg.2025.108218_b0270","doi-asserted-by":"crossref","unstructured":"S. Mosaad, \u201cNew quinazoline related derivatives with antimicrobial activity: Part II,\u201d Journal of Biological Sciences (Pakistan), vol. 4, 2004.","DOI":"10.3923\/jbs.2004.504.509"},{"key":"10.1016\/j.bioorg.2025.108218_b0275","doi-asserted-by":"crossref","unstructured":"U. Fathy, H. A. Abd El Salam, E. A. Fayed, A. M. Elgamal, and A. Gouda, Erratum to \u201cFacile synthesis and in vitro anticancer evaluation of a new series of tetrahydroquinoline\u201d [Heliyon 7(10) (October 2021) e08117] (Heliyon (2021) 7(10), (S2405844021022209), (10.1016\/j.heliyon.2021.e08117)), Heliyon,2024, 10(1), e23189.","DOI":"10.1016\/j.heliyon.2023.e23189"},{"key":"10.1016\/j.bioorg.2025.108218_b0280","first-page":"31","article-title":"\u201cSynthesis, Spectroscopy and X-Ray Characterization, of Novel Derivatives of Substituted 2-(Benzothiazol-2\u2019-ylthio) acetohydrazide,\u201d International","volume":"6","author":"Al-Omran","year":"2016","journal-title":"J. Org. Chem."},{"key":"10.1016\/j.bioorg.2025.108218_b0285","doi-asserted-by":"crossref","unstructured":"U. Fathy, H. A. Abd El Salam, E. A. Fayed, A. M. Elgamal, and A. Gouda, \u201cFacile synthesis and in vitro anticancer evaluation of a new series of tetrahydroquinoline,\u201d Heliyon, vol. 7, 2021.","DOI":"10.1016\/j.heliyon.2021.e08117"},{"key":"10.1016\/j.bioorg.2025.108218_b0290","doi-asserted-by":"crossref","first-page":"486","DOI":"10.21123\/bsj.2014.11.2.486-490","article-title":"Synthesis of Some new 2-(4-Aryliminophenoxy) N-Arylacetamide Via p-hydroxy benzaldehyde","volume":"11","author":"Mauf","year":"2014","journal-title":"Baghdad Sci. J."},{"key":"10.1016\/j.bioorg.2025.108218_b0295","doi-asserted-by":"crossref","first-page":"12","DOI":"10.4236\/ojmc.2014.41002","article-title":"Utility of 2-methyl-quinazolin-4 (3H)-one in the synthesis of heterocyclic compounds with anticancer activity","volume":"4","author":"Helali","year":"2014","journal-title":"Open Journal of Medicinal Chemistry"},{"key":"10.1016\/j.bioorg.2025.108218_b0300","first-page":"93","article-title":"Novel pyrazolyl pyridazine derivatives likely to possess anti-inflammatory activity","volume":"2","author":"Yassin","year":"2010","journal-title":"J. Microbiol. Antimicrob"},{"key":"10.1016\/j.bioorg.2025.108218_b0305","doi-asserted-by":"crossref","first-page":"189","DOI":"10.3998\/ark.5550190.0014.315","article-title":"A facile and efficient method for the synthesis of N-substituted 3-oxoisoindoline-1-carbonitrile derivatives catalyzed by sulfamic acid","volume":"3","author":"Hu","year":"2013","journal-title":"ARKIVOC"},{"key":"10.1016\/j.bioorg.2025.108218_b0310","doi-asserted-by":"crossref","first-page":"369","DOI":"10.1007\/s00044-022-03004-8","article-title":"Novel fluorinated pyrazole-based heterocycles scaffold: cytotoxicity, in silico studies and molecular modelling targeting double mutant EGFR L858R\/T790M as antiproliferative and apoptotic agents","volume":"32","author":"Fayed","year":"2023","journal-title":"Med. Chem. Res."},{"key":"10.1016\/j.bioorg.2025.108218_b0315","doi-asserted-by":"crossref","first-page":"167","DOI":"10.1128\/CMR.15.2.167-193.2002","article-title":"Biofilms: survival mechanisms of clinically relevant microorganisms","volume":"15","author":"Donlan","year":"2002","journal-title":"Clin. Microbiol. Rev."},{"key":"10.1016\/j.bioorg.2025.108218_b0320","doi-asserted-by":"crossref","first-page":"1110","DOI":"10.3390\/life12081110","article-title":"An overview of biofilm formation\u2013combating strategies and mechanisms of action of antibiofilm agents","volume":"12","author":"Asma","year":"2022","journal-title":"Life"},{"key":"10.1016\/j.bioorg.2025.108218_b0325","doi-asserted-by":"crossref","first-page":"19","DOI":"10.1016\/j.jaubas.2015.12.004","article-title":"Computational analysis for antimicrobial active pyrano [2, 3-d] pyrimidine derivatives on the basis of theoretical and experimental ground","volume":"20","author":"Bhat","year":"2016","journal-title":"Journal of the Association of Arab Universities for Basic and Applied Sciences"},{"key":"10.1016\/j.bioorg.2025.108218_b0330","doi-asserted-by":"crossref","DOI":"10.1016\/j.ejmech.2024.117201","article-title":"Discovery of novel bicyclic and tricyclic cyclohepta[b]thiophene derivatives as multipotent AChE and BChE inhibitors, in-Vivo and in-Vitro assays, ADMET and molecular docking simulation","volume":"284","author":"Fayed","year":"2025","journal-title":"Eur. J. Med. Chem."},{"key":"10.1016\/j.bioorg.2025.108218_b0335","doi-asserted-by":"crossref","first-page":"126","DOI":"10.1186\/s13568-023-01633-9","article-title":"Interception of Epoxide ring to quorum sensing system in Enterococcus faecalis and Staphylococcus aureus","volume":"13","author":"Refai","year":"2023","journal-title":"AMB Express"},{"key":"10.1016\/j.bioorg.2025.108218_b0340","doi-asserted-by":"crossref","unstructured":"a- D. E. V. Pires, T. L. Blundell, and D. B. Ascher, \u201cpkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures,\u201d Journal of Medicinal Chemistry, vol. 58, pp. 4066-4072, 2015; b- P. Banerjee, A. O. Eckert, A. K. Schrey, and R. Preissner, \u201cProTox-II: a webserver for the prediction of toxicity of chemicals,\u201d Nucleic Acids Research, vol. 46, pp. W257-W263, 2018.","DOI":"10.1093\/nar\/gky318"},{"key":"10.1016\/j.bioorg.2025.108218_b0345","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2023.137374","article-title":"Fluorinated thiazole\u2013thiosemicarbazones hybrids as potential PPAR-\u03b3 agonist and \u03b1-amylase, \u03b1-glucosidase antagonists: Design, synthesis, in silico ADMET and docking studies and hypoglycemic evaluation","volume":"1301","author":"Fayed","year":"2024","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.bioorg.2025.108218_b0350","doi-asserted-by":"crossref","DOI":"10.1016\/j.bioorg.2020.103841","article-title":"Antimicrobial evaluation of thiadiazino and thiazolo quinoxaline hybrids as potential DNA gyrase inhibitors; design, synthesis, characterization and morphological studies","volume":"99","author":"Ammar","year":"2020","journal-title":"Bioorg. Chem."},{"key":"10.1016\/j.bioorg.2025.108218_b0355","doi-asserted-by":"crossref","first-page":"3968","DOI":"10.1021\/acs.jmedchem.2c01905","article-title":"New dual inhibitors of bacterial topoisomerases with broad-spectrum antibacterial activity and in vivo efficacy against vancomycin-intermediate Staphylococcus aureus","volume":"66","author":"Durcik","year":"2023","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bioorg.2025.108218_b0360","series-title":"Ed: Clinical and Laboratory Standards Institute Wayne","article-title":"Performance standards for antimicrobial susceptibility testing","author":"Clinical and L. S. Institute,","year":"2020"},{"key":"10.1016\/j.bioorg.2025.108218_b0365","doi-asserted-by":"crossref","unstructured":"S.A. El-Kalyoubi, , E.A. Fayed, , and A.S. Abdel-Razek, , \u201cErratum: One pot synthesis, antimicrobial and antioxidant activities of fused uracils: Pyrimidodiazepines, lumazines, triazolouracil and xanthines. [Chem Cent J 11, (2017) (66)] DOI: 10.1186\/s13065-017-0294-0,\u201d Chemistry Central Journal, vol. 11(1), pp. 69, 2017.","DOI":"10.1186\/s13065-017-0302-4"},{"key":"10.1016\/j.bioorg.2025.108218_b0370","first-page":"495","article-title":"Synthesis and biological evaluation of new amides pro-drugs containing naproxen moiety as anti-inflammatory and antimicrobial agents","volume":"8","author":"Ammar","year":"2016","journal-title":"Der Pharma Chemica"},{"key":"10.1016\/j.bioorg.2025.108218_b0375","doi-asserted-by":"crossref","unstructured":"A. J. Cartagena, K. L. Taylor, J. T. Smith, A. L. Manson, V. M. Pierce, A. M. Earl, et al., \u201cThe carbapenem inoculum effect provides insight into the molecular mechanisms underlying carbapenem resistance in Enterobacterales,\u201d bioRxiv, 2023.","DOI":"10.1101\/2023.05.23.541813"},{"key":"10.1016\/j.bioorg.2025.108218_b0380","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2022.133028","article-title":"Novel cyclohepta [b] thiophene derivative incorporating pyrimidine, pyridine, and chromene moiety as potential antimicrobial agents targeting DNA gyrase","volume":"1262","author":"Fayed","year":"2022","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.bioorg.2025.108218_b0385","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1038\/emi.2015.73","article-title":"Antibacterial and anti-biofilm activities of thiazolidione derivatives against clinical staphylococcus strains","volume":"4","author":"Liu","year":"2015","journal-title":"Emerging Microbes Infect."},{"key":"10.1016\/j.bioorg.2025.108218_b0390","doi-asserted-by":"crossref","first-page":"4264","DOI":"10.3390\/molecules24234264","article-title":"Antiviral, Antimicrobial and Antibiofilm Activity of Selenoesters and Selenoanhydrides","volume":"24","author":"Spengler","year":"2019","journal-title":"Molecules"},{"key":"10.1016\/j.bioorg.2025.108218_b0395","article-title":"Inhibition of Biofilm Formation and Related Gene Expression of Listeria monocytogenes in Response to Four Natural Antimicrobial Compounds and Sodium Hypochlorite","volume":"11","author":"Liu","year":"2020","journal-title":"Front Microbiol"},{"key":"10.1016\/j.bioorg.2025.108218_b0400","doi-asserted-by":"crossref","first-page":"493","DOI":"10.1093\/oxfordjournals.aje.a118408","article-title":"A Simple Method of Estimating Fifty Per Cent Endpoints","volume":"27","author":"Reed","year":"1938","journal-title":"Am. J. Epidemiol."},{"key":"10.1016\/j.bioorg.2025.108218_b0405","doi-asserted-by":"crossref","unstructured":"M. Feoktistova, P. Geserick, and M. Leverkus, \u201cCrystal Violet Assay for Determining Viability of Cultured Cells,\u201d Cold Spring Harbor Protocols, vol. 2016, p. pdb.prot087379, April 1, 2016 2016.","DOI":"10.1101\/pdb.prot087379"},{"key":"10.1016\/j.bioorg.2025.108218_b0410","doi-asserted-by":"crossref","first-page":"443","DOI":"10.3390\/ph13120443","article-title":"FDA-approved drugs with potent in vitro antiviral activity against severe acute respiratory syndrome coronavirus 2","volume":"13","author":"Mostafa","year":"2020","journal-title":"Pharmaceuticals"},{"key":"10.1016\/j.bioorg.2025.108218_b0415","doi-asserted-by":"crossref","first-page":"961","DOI":"10.3390\/bioengineering10080961","article-title":"Deep Drug Discovery of Mac Domain of SARS-CoV-2 (WT) Spike Inhibitors: Using Experimental ACE2 Inhibition TR-FRET Assay, Screening, Molecular Dynamic Simulations and Free Energy Calculations","volume":"10","author":"Iqbal","year":"2023","journal-title":"Bioengineering"},{"key":"10.1016\/j.bioorg.2025.108218_b0420","doi-asserted-by":"crossref","first-page":"1170","DOI":"10.3390\/biomedicines10051170","article-title":"Natural Polyphenols, 1,2,3,4,6-O-Pentagalloyglucose and Proanthocyanidins, as Broad-Spectrum Anticoronaviral Inhibitors Targeting Mpro and RdRp of SARS-CoV-2","volume":"10","author":"Jin","year":"2022","journal-title":"Biomedicines"},{"key":"10.1016\/j.bioorg.2025.108218_b0425","doi-asserted-by":"crossref","DOI":"10.1016\/j.lfs.2019.116958","article-title":"Molecular dynamics and docking reveal the potency of novel GTP derivatives against RNA dependent RNA polymerase of genotype 4a HCV","volume":"238","author":"Elfiky","year":"2019","journal-title":"Life Sci."},{"key":"10.1016\/j.bioorg.2025.108218_b0430","doi-asserted-by":"crossref","first-page":"376","DOI":"10.3390\/ph15030376","article-title":"One-Pot Synthesis and Molecular Modeling Studies of New Bioactive Spiro-Oxindoles Based on Uracil Derivatives as SARS-CoV-2 Inhibitors Targeting RNA Polymerase and Spike Glycoprotein","volume":"15","author":"El-Kalyoubi","year":"2022","journal-title":"Pharmaceuticals"},{"key":"10.1016\/j.bioorg.2025.108218_b0435","doi-asserted-by":"crossref","DOI":"10.1016\/j.bioorg.2021.104742","article-title":"In vivo and in vitro anti-inflammatory, antipyretic and ulcerogenic activities of pyridone and chromenopyridone derivatives, physicochemical and pharmacokinetic studies","volume":"109","author":"Fayed","year":"2021","journal-title":"Bioorg. Chem."},{"key":"10.1016\/j.bioorg.2025.108218_b0440","first-page":"1","article-title":"In vitro antimicrobial evaluation and in silico studies of coumarin derivatives tagged with pyrano-pyridine and pyrano-pyrimidine moieties as DNA gyrase inhibitors","author":"Fayed","year":"2022","journal-title":"Mol. Divers."},{"key":"10.1016\/j.bioorg.2025.108218_b0445","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2022.132839","article-title":"Design, synthesis, in silico studies, in vivo and in vitro assessment of pyridones and thiazolidinones as anti-inflammatory, antipyretic and ulcerogenic hits","volume":"1260","author":"Fayed","year":"2022","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.bioorg.2025.108218_b0450","doi-asserted-by":"crossref","first-page":"3891","DOI":"10.1021\/acs.jcim.1c00203","article-title":"AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings","volume":"61","author":"Eberhardt","year":"2021","journal-title":"J. Chem. Inf. Model."},{"key":"10.1016\/j.bioorg.2025.108218_b0455","doi-asserted-by":"crossref","first-page":"455","DOI":"10.1002\/jcc.21334","article-title":"AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading","volume":"31","author":"Trott","year":"2010","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.bioorg.2025.108218_b0460","doi-asserted-by":"crossref","DOI":"10.1016\/j.bioorg.2024.108023","article-title":"Exploring a novel thiazole derivatives hybrid with fluorinated-indenoquinoxaline as dual inhibitors targeting VEGFR2\/AKT and apoptosis inducers against hepatocellular carcinoma with docking simulation","volume":"154","author":"Abusaif","year":"2025","journal-title":"Bioorg. Chem."},{"key":"10.1016\/j.bioorg.2025.108218_b0465","doi-asserted-by":"crossref","DOI":"10.1039\/D4MD00498A","article-title":"New ATP-competitive inhibitors of E. coli GyrB obtained from the mapping of the hydrophobic floor at the binding site: synthesis and biological evaluation","author":"Gutierrez","year":"2024","journal-title":"RSC Med. Chem."},{"key":"10.1016\/j.bioorg.2025.108218_b0470","doi-asserted-by":"crossref","unstructured":"H. A. Elseedy, C. Kiriacos, and T. M. Ramsis, \u201cMolecular Modeling and Drug Development,\u201d in Applied Biotechnology and Bioinformatics, ed, 2024, pp. 109-137.","DOI":"10.1002\/9781119896869.ch5"},{"key":"10.1016\/j.bioorg.2025.108218_b0475","doi-asserted-by":"crossref","DOI":"10.1016\/j.ejmech.2024.117201","article-title":"Discovery of novel bicyclic and tricyclic cyclohepta[b]thiophene derivatives as multipotent AChE and BChE inhibitors, in-Vivo and in-Vitro assays, ADMET and molecular docking simulation","volume":"284","author":"Fayed","year":"2025","journal-title":"Eur. J. Med. Chem."}],"container-title":["Bioorganic Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0045206825000987?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0045206825000987?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,9,26]],"date-time":"2025-09-26T01:58:58Z","timestamp":1758851938000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0045206825000987"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,3]]},"references-count":95,"alternative-id":["S0045206825000987"],"URL":"https:\/\/doi.org\/10.1016\/j.bioorg.2025.108218","relation":{},"ISSN":["0045-2068"],"issn-type":[{"value":"0045-2068","type":"print"}],"subject":[],"published":{"date-parts":[[2025,3]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Novel Pyrrolidine-bearing quinoxaline inhibitors of DNA Gyrase, RNA polymerase and spike glycoprotein","name":"articletitle","label":"Article Title"},{"value":"Bioorganic Chemistry","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.bioorg.2025.108218","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2025 Elsevier Inc. All rights are reserved, including those for text and data mining, AI training, and similar technologies.","name":"copyright","label":"Copyright"}],"article-number":"108218"}}