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2000
Volume 33, Issue 5
  • ISSN: 0929-8673
  • E-ISSN: 1875-533X

Abstract

Background

infections have become a significant public health issue due to increasing the resistance against known antibiotics, especially by Methicillin-Resistant (MRSA). Fluoroquinolones are broad-spectrum class of antibiotics mostly utilized in treating various bacterial infections and those caused by . Reported data indicated that mutations of Ser84 to Leu, Ser85 to Pro and Glu88 to Lys in DNA gyrase A enzyme are the major cause of fluoroquinolone resistance against . Therefore, the development of a novel targeted molecule with potential activity against mutant is essential. The antibacterial activity of quinoline-clubbed hydrazone derivatives against is noteworthy. However, the mechanism of action of quinoline hydrazone derivatives has not been reported by inhibiting these common mutations of DNA gyrase A.

Methods

In this concern, some quinoline hydrazone derivatives as antibacterial agents reported by several research groups have been further studied as mutated DNA gyrase A (Pdb id: 8bp2) inhibitors using techniques , molecular docking, MD simulation, DFT analysis, and ADMET predictions.

Results

Among the studied compounds, , , and were found to be the most active and showed the highest docking score (-7.71 to -9.29 kcalmol-1) by interaction with mutant (Leu84 and Pro85) DNA gyrase A. Further, MD simulation results indicated that these compounds exhibited good stability with the targeted macromolecule under dynamic conditions. The most active compound (ʌE = 0.159 eV) attributed to its lower HOMO-LUMO gap, which was an indicator of a potential inhibitor of fluoroquinolone- resistant DNA gyrase A enzyme. ADMET prediction study emphasized that both compounds showed a significant safety profile.

Conclusion

The future perspective emphasized that compounds , , and could be developed as novel inhibitors against fluoroquinolone-resistant DNA gyrase A enzyme on the completion of drug discovery approaches.

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References

  1. WalshT.R. GalesA.C. LaxminarayanR. DoddP.C. Antimicrobial resistance: Addressing a global threat to humanity.PLoS Med.2023207e100426410.1371/journal.pmed.100426437399216
     [Google Scholar]
  2. PatelJ. HarantA. FernandesG. MwameloA.J. HeinW. DekkerD. SridharD. Measuring the global response to antimicrobial resistance, 2020–21: A systematic governance analysis of 114 countries.Lancet Infect. Dis.202323670671810.1016/S1473‑3099(22)00796‑436657475
     [Google Scholar]
  3. LafaurieM. PorcherR. DonayJ. Resistant Pseudomonas aeruginosa isolation rates: A 10 year study.J. Antimicrob. Chemother.2012671010101510.1093/jac/dkr55522240401
     [Google Scholar]
  4. BrdováD. RumlT. ViktorováJ. Mechanism of staphylococcal resistance to clinically relevant antibiotics.Drug Resist. Updat.20247710114710.1016/j.drup.2024.10114739236354
     [Google Scholar]
  5. Mlynarczyk-BonikowskaB. KowalewskiC. Krolak-UlinskaA. MaruszaW. Molecular mechanisms of drug resistance in Staphylococcus aureus. Int. J. Mol. Sci.20222315808810.3390/ijms2315808835897667
     [Google Scholar]
  6. NandhiniP. KumarP. MickymarayS. AlothaimA.S. SomasundaramJ. RajanM. Recent developments in methicillin-resistant Staphylococcus aureus (MRSA) treatment: A review.Antibiotics202211560610.3390/antibiotics1105060635625250
     [Google Scholar]
  7. RaiA. KhairnarK. Overview of the risks of Staphylococcus aureus infections and their control by bacteriophages and bacteriophage-encoded products.Braz. J. Microbiol.20215242031204210.1007/s42770‑021‑00566‑434251609
     [Google Scholar]
  8. PhamT.D.M. ZioraZ.M. BlaskovichM.A.T. Quinolone antibiotics.MedChemComm201910101719173910.1039/C9MD00120D31803393
     [Google Scholar]
  9. DuG.F. ZhengY.D. ChenJ. HeQ.Y. SunX. Novel mechanistic insights into bacterial fluoroquinolone resistance.J. Proteome Res.201918113955396610.1021/acs.jproteome.9b0041031599150
     [Google Scholar]
  10. YangX. XingB. LiangC. YeZ. ZhangY. Prevalence and fluoroquinolone resistance of Pseudomonas aeruginosa in a hospital of South China.Int. J. Clin. Exp. Med.2015811386139025785142
     [Google Scholar]
  11. SreedharanS. OramM. JensenB. PetersonL.R. FisherL.M. DNA gyrase gyrA mutations in ciprofloxacin-resistant strains of Staphylococcus aureus: Close similarity with quinolone resistance mutations in Escherichia coli.J. Bacteriol.1990172127260726210.1128/jb.172.12.7260‑7262.19902174869
     [Google Scholar]
  12. SpencerA.C. PandaS.S. DNA gyrase as a target for quinolones.Biomedicines202311237110.3390/biomedicines1102037136830908
     [Google Scholar]
  13. ItoH. YoshidaH. Bogaki-ShonaiM. NigaT. HattoriH. NakamuraS. Quinolone resistance mutations in the DNA gyrase gyrA and gyrB genes of Staphylococcus aureus.Antimicrob. Agents Chemother.19943892014202310.1128/AAC.38.9.20147811012
     [Google Scholar]
  14. ErazuaE.A. OyebamijiA.K. AkinteluS.A. AdewoleP.D. AdelakunA. AdelekeB.B. Quantitative structure-activity relationship, molecular docking and ADMET screening of tetrahydroquinoline derivatives as anti-small cell lung cancer agents.Eclét. Quím.2023481557110.26850/1678‑4618eqj.v48.1.2023.p55‑71
     [Google Scholar]
  15. AfzalM. VijayA.K. StapletonF. WillcoxM. The relationship between ciprofloxacin resistance and genotypic changes in S. aureus ocular isolates.Pathogens20221111135410.3390/pathogens1111135436422605
     [Google Scholar]
  16. de la RosaJ.M.O. FernándezM.A. Rodríguez-VillodresÁ. Casimiro-SoriguerC.S. CisnerosJ.M. LepeJ.A. Ortiz-de-la Rosa High-level delafloxacin resistance through the combination of two different mechanisms in Staphylococcus aureus.Int. J. Antimicrob. Agents202361610679510.1016/j.ijantimicag.2023.106795
     [Google Scholar]
  17. SahaS. TiwariH. GhoshM. Molecular dynamics simulation guided analysis of the interaction between delafloxacin and Staphylococcus aureus gyrase mutants.Mol. Simul.2024501060161210.1080/08927022.2024.2332453
     [Google Scholar]
  18. SharmaS. KumarD. SinghG. MongaV. KumarB. Recent advancements in the development of heterocyclic anti-inflammatory agents.Eur. J. Med. Chem.202020011243810.1016/j.ejmech.2020.11243832485533
     [Google Scholar]
  19. DofeV.S. SarkateA.P. AzadR. GillC.H. Green synthesis and inhibitory effect of novel quinoline based thiazolidinones on the growth of MCF-7 human breast cancer cell line by G2/M cell cycle arrest.Res. Chem. Intermed.20184421149116010.1007/s11164‑017‑3157‑3
     [Google Scholar]
  20. ElrayessR. DarwishK.M. NafieM.S. El-SayyedG.S. SaidM.M. YassenA.S.A. Quinoline–hydrazone hybrids as dual mutant EGFR inhibitors with promising metallic nanoparticle loading: Rationalized design, synthesis, biological investigation and computational studies.New J. Chem.20224638182071823210.1039/D2NJ02962F
     [Google Scholar]
  21. MistryS. SinghA.K. Synthesis and in vitro antimicrobial activity of new steroidal hydrazone derivatives.Future J. Pharm. Sci.202281710.1186/s43094‑021‑00391‑4
     [Google Scholar]
  22. PuskulluM.O. ShirinzadehH. NenniM. Gurer-OrhanH. SuzenS. Synthesis and evaluation of antioxidant activity of new quinoline-2-carbaldehyde hydrazone derivatives: Bioisosteric melatonin analogues.J. Enzyme Inhib. Med. Chem.201631112112510.3109/14756366.2015.100501225942363
     [Google Scholar]
  23. AbdullahA.H. AlararehA.K. Al-Sha’erM.A. HabashnehA.Y. AwwadiF.F. BardaweelS.K. Docking, synthesis, and anticancer assessment of novel quinoline-amidrazone hybrids.Pharmacia20247111210.3897/pharmacia.71.e117192
     [Google Scholar]
  24. ĆurčićV. OlszewskiM. MaciejewskaN. VišnjevacA. Srdić-RajićT. DobričićV. García-SosaA.T. KokanovS.B. AraškovJ.B. SilvestriR. SchüleR. JungM. NikolićM. FilipovićN.R. Quinoline-based thiazolyl-hydrazones target cancer cells through autophagy inhibition.Arch. Pharm.20243572230042610.1002/ardp.20230042637991233
     [Google Scholar]
  25. MandewaleM.C. ThoratB. ShelkeD. YamgarR. Synthesis and biological evaluation of new hydrazone derivatives of quinoline and their Cu(II) and Zn(II) complexes against Mycobacterium tuberculosis.Bioinorg. Chem. Appl.2015201511410.1155/2015/15301526759537
     [Google Scholar]
  26. MarraR.K.F. KümmerleA.E. GuedesG.P. BarrosC.S. GomesR.S.P. Cirne-SantosC.C. PaixãoI.C.N.P. NevesA.P. Quinolone-N-acylhydrazone hybrids as potent Zika and Chikungunya virus inhibitors.Bioorg. Med. Chem. Lett.202030212688110.1016/j.bmcl.2019.12688131843348
     [Google Scholar]
  27. DebnathU. MukherjeeS. JoardarN. Sinha BabuS.P. JanaK. MisraA.K. Aryl quinolinyl hydrazone derivatives as anti-inflammatory agents that inhibit TLR4 activation in the macrophages.Eur. J. Pharm. Sci.201913410211510.1016/j.ejps.2019.04.01631002986
     [Google Scholar]
  28. ShayeganN. HaghipourS. TanidehN. MoazzamA. MojtabaviS. FaramarziM.A. IrajieC. ParizadS. AnsariS. LarijaniB. HosseiniS. IrajiA. MahdaviM. Synthesis, in vitro α-glucosidase inhibitory activities, and molecular dynamic simulations of novel 4-hydroxyquinolinone-hydrazones as potential antidiabetic agents.Sci. Rep.2023131630410.1038/s41598‑023‑32889‑737072431
     [Google Scholar]
  29. TahaM. SultanS. ImranS. RahimF. ZamanK. WadoodA. Ur RehmanA. UddinN. Mohammed KhanK. Synthesis of quinoline derivatives as diabetic II inhibitors and molecular docking studies.Bioorg. Med. Chem.201927184081408810.1016/j.bmc.2019.07.03531378594
     [Google Scholar]
  30. MagwazaR.N. AbubakerM. HussainB. HaleyM. CouperK. FreemanS. NirmalanN.J. Evaluation of 4-Aminoquinoline hydrazone analogues as potential leads for drug-resistant malaria.Molecules20232818647110.3390/molecules2818647137764248
     [Google Scholar]
  31. MarinhoJ.A. Martins GuimarãesD.S. GlanzmannN. de Almeida PimentelG. Karine da Costa NunesI. Gualberto PereiraH.M. NavarroM. de Pilla VarottiF. David da SilvaA. AbramoC. In vitro and in vivo antiplasmodial activity of novel quinoline derivative compounds by molecular hybridization.Eur. J. Med. Chem.202121511327110.1016/j.ejmech.2021.11327133596489
     [Google Scholar]
  32. SonawaneS.J. KalhapureR.S. GovenderT. Hydrazone linkages in pH responsive drug delivery systems.Eur. J. Pharm. Sci.201799456510.1016/j.ejps.2016.12.01127979586
     [Google Scholar]
  33. RizkO.H. BekhitM.G. HazzaaA.A.B. El-KhawassE.S.M. AbdelwahabI.A. Synthesis, antibacterial evaluation, and DNA gyrase inhibition profile of some new quinoline hybrids.Arch. Pharm.201935210190008610.1002/ardp.20190008631389630
     [Google Scholar]
  34. ElmongyE.I. AhmedA.A.S. El SayedI.E.T. FathyG. AwadH.M. SalmanA.U. HamedM.A. HamedM.A. Synthesis, biocidal and antibiofilm activities of new isatin–quinoline conjugates against multidrug-resistant bacterial pathogens along with their in silico screening.Antibiotics20221111150710.3390/antibiotics1111150736358162
     [Google Scholar]
  35. VermaS. LalS. NarangR. SudhakarK. Quinoline hydrazide/hydrazone derivatives: Recent insights on antibacterial activity and mechanism of action.ChemMedChem2023185e20220057110.1002/cmdc.20220057136617503
     [Google Scholar]
  36. AgamahF.E. MazanduG.K. HassanR. BopeC.D. ThomfordN.E. GhansahA. ChimusaE.R. Computational/in silico methods in drug target and lead prediction.Brief. Bioinform.20202151663167510.1093/bib/bbz10331711157
     [Google Scholar]
  37. KharkarP.S. WarrierS. GaudR.S. Reverse docking: A powerful tool for drug repositioning and drug rescue.Future Med. Chem.20146333334210.4155/fmc.13.20724575968
     [Google Scholar]
  38. TiwariA. SinghS. Computational approaches in drug designing. Bioinforma. Methods Appl.202113207217
     [Google Scholar]
  39. MohanA. KirubakaranR. ParrayJ.A. SivakumarR. MurugeshE. GovarthananM. Ligand-based pharmacophore filtering, atom based 3D-QSAR, virtual screening and ADME studies for the discovery of potential ck2 inhibitors.J. Mol. Struct.2020120512767010.1016/j.molstruc.2019.127670
     [Google Scholar]
  40. FidanO. MujwarS. KciukM. Discovery of adapalene and dihydrotachysterol as antiviral agents for the Omicron variant of SARS-CoV-2 through computational drug repurposing.Mol. Divers.202327146347510.1007/s11030‑022‑10440‑635507211
     [Google Scholar]
  41. MujwarS. TripathiA. Repurposing benzbromarone as antifolate to develop novel antifungal therapy for Candida albicans.J. Mol. Model.202228719310.1007/s00894‑022‑05185‑w35716240
     [Google Scholar]
  42. ForliS. HueyR. PiqueM.E. SannerM.F. GoodsellD.S. OlsonA.J. Computational protein–ligand docking and virtual drug screening with the AutoDock suite.Nat. Protoc.201611590591910.1038/nprot.2016.05127077332
     [Google Scholar]
  43. BowersK.J. ChowE. XuH. DrorR.O. EastwoodM.P. GregersenB.A. KlepeisJ.L. KolossvaryI. MoraesM.A. SacerdotiF.D. SalmonJ.K. ShanY. ShawD.E. Scalable algorithms for molecular dynamics simulations on commodity clusters.Proceedings of the 2006 ACM/IEEE Conference on SupercomputingTampa, FL, USA, 11-17 November 2006, pp. 43.10.1109/SC.2006.54
     [Google Scholar]
  44. ShinuP. SharmaM. GuptaG.L. MujwarS. KandeelM. KumarM. NairA.B. GoyalM. SinghP. AttimaradM. VenugopalaK.N. NagarajaS. TelsangM. AldhubiabB.E. MorsyM.A. Computational design, synthesis, and pharmacological evaluation of naproxen-guaiacol chimera for gastro-sparing anti-inflammatory response by selective COX2 inhibition.Molecules20222720690510.3390/molecules2720690536296501
     [Google Scholar]
  45. BurschM. MewesJ.M. HansenA. GrimmeS. Best-practice DFT protocols for basic molecular computational chemistry.Angew. Chem. Int. Ed.20226142e20220573510.1002/anie.20220573536103607
     [Google Scholar]
  46. LafifiI. KhatmiD. Theoretical investigation of the intramolecular H-bonding on tautomerism.Adv. Quantum Chem.20146825726810.1016/B978‑0‑12‑800536‑1.00013‑7
     [Google Scholar]
  47. ThakurA. VermaM. SetiaP. BhartiR. SharmaR. SharmaA. NegiN.P. AnandV. BansalR. DFT analysis and in vitro studies of isoxazole derivatives as potent antioxidant and antibacterial agents synthesized via one-pot methodology.Res. Chem. Intermed.202349385988310.1007/s11164‑022‑04910‑7
     [Google Scholar]
  48. GulS. JanF. AlamA. ShakoorA. KhanA. AlAsmariA.F. AlasmariF. KhanM. BoL. Synthesis, molecular docking and DFT analysis of novel bis-Schiff base derivatives with thiobarbituric acid for α-glucosidase inhibition assessment.Sci. Rep.2024141341910.1038/s41598‑024‑54021‑z38341468
     [Google Scholar]
  49. KarS. LeszczynskiJ. Open access in silico tools to predict the ADMET profiling of drug candidates.Expert Opin. Drug Discov.202015121473148710.1080/17460441.2020.179892632735147
     [Google Scholar]
  50. JiaC.Y. LiJ.Y. HaoG.F. YangG.F. A drug-likeness toolbox facilitates ADMET study in drug discovery.Drug Discov. Today202025124825810.1016/j.drudis.2019.10.01431705979
     [Google Scholar]
  51. PoongattilS. ThomasJ. JoyC. In silico analysis and molecular docking studies of potential compounds from Crateva Magna (Lour.) DC. using POAP.Rev. Electrón. Vet.20242529831310.69980/redvet.v25i1S.648
     [Google Scholar]
  52. BharwaniH. KapurL.S. PalaniS.G. Milk adulteration testing and analysis (MATA) kit for rapid detection of cow milk adulterated with urea and glucose at low cost.Res. Squar2024127
     [Google Scholar]
  53. SharmaM. GoyalR. AhujaD. SharmaA. SoniS.L. Antimicrobial and antifungal activity of newly synthesized 4-hydroxy quinoline derivatives.Eur. J. Mol. Clin. Med.2020720822094
     [Google Scholar]
  54. PradhanA. VishwakarmaS.K. Synthesis, characterisation and antimicrobial activity of schiff base of 7-Hydroxy-3-Methyl-2- Quinolone.Int. J. Recent Trends Sci. Technol.20181014043
     [Google Scholar]
  55. CelikI. ErolM. PuskulluM.O. UzunhisarcikliE. InceU. KuyucukluG. SuzenS. In vitro and in silico studies of Quinoline-2-Carbaldehyde Hydrazone derivatives as potent antimicrobial agents.Polycycl. Aromat. Compd.20224241942195810.1080/10406638.2020.1821230
     [Google Scholar]
  56. DawoodR.S. Synthesis, characterization and biological activity study of some new schiff bases derived from Phenyl Quinoline-2 (1H) -one. Al-Anbar.J. Vet. Sci.20122114122
     [Google Scholar]
  57. KumarM. KumarV. GuptaG.K. Synthesis, antibacterial evaluation, and SAR study of some novel 3-aryl/heteroaryl-9-methyl-1,2,4-triazolo-[4,3-a]-quinoline derivatives.Med. Chem. Res.20152451857186810.1007/s00044‑014‑1254‑z
     [Google Scholar]
  58. PuskulluM.O. CelikI. ErolM. FatullayevH. UzunhisarcikliE. KuyucukluG. Antimicrobial and antiproliferative activity studies of some new quinoline-3-carbaldehyde hydrazone derivatives.Bioorg. Chem.202010110401410.1016/j.bioorg.2020.10401432599364
     [Google Scholar]
  59. AbdelrahmanM.A. SalamaI. GomaaM.S. ElaasserM.M. Abdel-AzizM.M. SolimanD.H. Design, synthesis and 2D QSAR study of novel pyridine and quinolone hydrazone derivatives as potential antimicrobial and antitubercular agents.Eur. J. Med. Chem.201713869871410.1016/j.ejmech.2017.07.00428715707
     [Google Scholar]
  60. MakawanaJ.A. SanganiC.B. TeraiyaS.B. ZhuH-L. Schiff’s base derivatives bearing 2-thiophenoxyquinoline nucleus as new antibacterial agents.Med. Chem. Res.201423147147910.1007/s00044‑013‑0655‑8
     [Google Scholar]
  61. ShaikhS.S. Synthesis and antimicrobial activities of substituted benzohydrazide.Chem. Sci. Trans.20132950954
     [Google Scholar]
  62. LamaniD.S. Venugopala ReddyK.R. Bhojya NaikH.S. SavyasachiA. NaikH.R. Synthesis and DNA binding studies of novel heterocyclic substituted quinoline schiff bases: A potent antimicrobial agent.Nucleosides Nucleotides Nucleic Acids20082710-111197121010.1080/1525777080240008118788049
     [Google Scholar]
  63. ShabeebI. Al-EssaL. ShtaiwiM. Al-ShalabiE. YounesE. OkashaR. Abu SiniM. New hydrazide-hydrazone derivatives of quinoline 3-carboxylic acid hydrazide: Synthesis, theoretical modeling and antibacterial evaluation.Lett. Org. Chem.201916543043610.2174/1570178616666181227122326
     [Google Scholar]
  64. HamamaW.S. IbrahimM.E. GoodaA.A. ZoorobH.H. Efficient synthesis, antimicrobial, antioxidant assessments and geometric optimization calculations of azoles- incorporating quinoline moiety.J. Heterocycl. Chem.201855112623263410.1002/jhet.3322
     [Google Scholar]
  65. MallandurB.K. RangaiahG. HarohallyN.V. Synthesis and antimicrobial activity of Schiff bases derived from 2-chloro quinoline-3-carbaldehyde and its derivatives incorporating 7-methyl-2-propyl-3 H -benzoimidazole-5-carboxylic acid hydrazide.Synth. Commun.201747111065107010.1080/00397911.2017.1309668
     [Google Scholar]
  66. El-gamalK.M.A. SherbinyF.F. El-morsiA.M. Design, synthesis and antimicrobial evaluation of some novel quinoline derivatives.Pharm. Pharmacol. Int. J.20152165177
     [Google Scholar]
  67. SharmaA. KumarV. KhareR. GuptaG.K. BeniwalV. Synthesis, docking study, and DNA photocleavage activity of some pyrimidinyl hydrazones and 3-(quinolin-3-yl)-5,7-dimethyl-1,2,4-triazolo[4,3-a]pyrimidine derivatives.Med. Chem. Res.20152451830184110.1007/s00044‑014‑1265‑9
     [Google Scholar]
  68. GarudachariB. IsloorA.M. SatyanarayaM.N. AnandaK. FunH. RSC advances studies of some new trifluoromethyl Quinoline-3-.RSC Advances20144308643087510.1039/C4RA04456H
     [Google Scholar]
  69. MaddelaS. MakulaA. MaddelaR. Synthesis of isatin–quinoline conjugates as possible biologically active agents.Toxicol. Environ. Chem.201496111110.1080/02772248.2014.918464
     [Google Scholar]
  70. KidwaiM. SapraP. BhushanK.R. SaxenaR.K. GuptaR. SinghM. Microwave assisted stereoselective synthesis and antibacterial activity of new Fluoroquinolinyl-β-lactam derivatives.Monatsh. Chem.20001311859010.1007/PL00010299
     [Google Scholar]
  71. T GS. SubramanianS. EswaranS. Design, synthesis and study of antibacterial and antitubercular activity of quinoline hydrazone hybrids.Heterocycl. Commun.202026113714710.1515/hc‑2020‑0109
     [Google Scholar]
  72. KatariyaK.D. ShahS.R. ReddyD. Antimicrobial based hydrazone analogues: Synthesis, characterization and molecular docking.Bioorg. Chem.20209410340610.1016/j.bioorg.2019.10340631718889
     [Google Scholar]
  73. PatelD.B. VekariyaR.H. PatelK.D. VasavaM.S. RajaniD.P. RajaniS.D. PatelH.D. Synthesis, docking, ADME-Tox Study of 2-(2-(2-Chlorophenyl)quinoline-4- carbonyl)- N -substituted hydrazinecarbothioamide derivatives and their biological evaluation.J. Heterocycl. Chem.201855363264410.1002/jhet.3080
     [Google Scholar]
  74. BodkeY.D. ShankerraoS. KenchappaR. TelkarS. Synthesis, antibacterial and antitubercular activity of novel Schiff bases of 2-(1-benzofuran-2-yl)quinoline-4-carboxylic acid derivatives.Russ. J. Gen. Chem.20178781843184910.1134/S1070363217080321
     [Google Scholar]
  75. BharadwajS.S. PoojaryB. Madan KumarS. ByrappaK. NaganandaG.S. ChaitanyaA.K. ZaveriK. YarlaN.S. ShiralgiY. KudvaA.K. DhananjayaB.L. Design, synthesis and pharmacological studies of some new quinoline Schiff bases and 2,5-(disubstituted-[1,3,4])-oxadiazoles.New J. Chem.201741168568858510.1039/C6NJ03913H
     [Google Scholar]
  76. MetwallyK.A. Abdel-AzizL.M. LashineE.S.M. HusseinyM.I. BadawyR.H. Hydrazones of 2-aryl-quinoline-4-carboxylic acid hydrazides: Synthesis and preliminary evaluation as antimicrobial agents.Bioorg. Med. Chem.200614248675868210.1016/j.bmc.2006.08.02216949294
     [Google Scholar]
  77. AjaniO.O. IyayeK.T. AderohunmuD.V. OlanrewajuI.O. GermannM.W. OlorunsholaS.J. BelloB.L. Microwave-assisted synthesis and antibacterial propensity of N′-s-benzylidene-2-propylquinoline-4-carbohydrazide and N′-((s-1H-pyrrol-2-yl)methylene)-2-propylquinoline-4-carbohydrazide motifs.Arab. J. Chem.20201311809182010.1016/j.arabjc.2018.01.015
     [Google Scholar]
  78. LeT.D. PhamN.N. NguyenT.C. Preparation and antibacterial activity of some new 4-(2-Heterylidenehydrazinyl)-7-chloroquinoline derivatives.J. Chem.201820181710.1155/2018/4301847
     [Google Scholar]
  79. PrateekP. ThakurA. ShuklaP.K. Derivatives: Design, synthesis, characterization and antibacterial evaluation.Int. J. Chemtech Res.20169261269
     [Google Scholar]
  80. SreedharP. SrinivasG. RajuR.M. Synthesis and antibacterial activity of N-substituted-1-benzyl- 1H -1, 2, 3- triazole-carbohydrazide derivatives.Der Pharma Chem.20168173178
     [Google Scholar]
  81. ThakurA. GuptaP.R.S. PathakP. KumarA. Design, synthesis, SAR, docking and antibacterial evaluation: Aliphatic amide bridged 4-aminoquinoline clubbed 1, 2, 4- triazole derivatives.Int. J. Chemtech Res.20169575588
     [Google Scholar]
  82. HafezA.A.A. AwadI.M.A. HassanK.M. Synthesis and biological activity of some new 8-hydroxyquinoline sulphonamide derivatives.Phosphorus Sulfur Relat. Elem.1988403-421922510.1080/03086648808072917
     [Google Scholar]
  83. DouadiK. ChafaaS. DouadiT. Al-NoaimiM. KaabiI. Azoimine quinoline derivatives: Synthesis, classical and electrochemical evaluation of antioxidant, anti-inflammatory, antimicrobial activities and the DNA / BSA binding.J. Mol. Struct.2020121712830510.1016/j.molstruc.2020.128305
     [Google Scholar]
  84. AbdelmajeidA. AlyA.A. AmineM.S. GhithA.A. Synthesis and investigation of mass spectra and antimicrobial activity of some azoles and azines based on (QUINOLINE-8-YLOXY) ACETOHYDRAZIDE.Int. J. Nanomater. Chem.201622374510.18576/ijnc/020202
     [Google Scholar]
  85. SridharP. AlagumuthuM. ArumugamS. ReddyS.R. Synthesis of quinoline acetohydrazide-hydrazone derivatives evaluated as DNA gyrase inhibitors and potent antimicrobial agents.RSC Advances2016669644606446810.1039/C6RA09891F
     [Google Scholar]
  86. RevanasiddappaB.C. SubrahmanyamE.V.S. SatyanarayanaD. ThomasJ. Sythesis and biological studies of some novel schiff bases and hydrazone derived from 8-hydroxy quinoline moiety.Int. J. Chemtech Res.2009111001104
     [Google Scholar]
  87. SanguS. MiddhaA. Synthesis, antimicrobial and anticancer evaluation and molecular docking studies of some quinolyl heterocycles.Int. J. Curr. Res.2018107409274095
     [Google Scholar]
  88. NipateA.S. JadhavC.K. ChateA.V. DixitP.P. SharmaP. GillC.H. Synthesis and antimicrobial activity of new carbohydrazide bearing quinoline scaffolds in silico ADMET and molecular docking studies.Polycycl. Aromat. Compd.20244421348136510.1080/10406638.2023.2194653
     [Google Scholar]
  89. VegalN.K. BhattT.D. KachhotK. JoshiH.S. Effective microwave-assisted synthesis of 2-Chloro-5,6-dimethyl-3-(((substituted-benzylidene)hydrazono)methyl)- quinoline and its biological assessment.Russ. J. Bioorganic Chem.202450123925010.1134/S1068162024010254
     [Google Scholar]
  90. ÖzcanE. VagoluS.K. GündüzM.G. StevanovicM. KökbudakZ. TønjumT. Nikodinovic-RunicJ. ÇetinkayaY. DoğanŞ.D. Novel quinoline-based thiosemicarbazide derivatives: Synthesis, DFT calculations, and investigation of antitubercular, antibacterial, and antifungal activities.ACS Omega2023843401404015210.1021/acsomega.3c0301837929089
     [Google Scholar]
  91. Abd El-LateefH.M. ElmaatyA.A. Abdel GhanyL.M.A. Abdel-AzizM.S. ZakiI. RyadN. Design and synthesis of 2-(4-Bromophenyl)Quinoline-4-Carbohydrazide derivatives via molecular hybridization as novel microbial DNA-gyrase inhibitors.ACS Omega2023820179481796510.1021/acsomega.3c0115637251193
     [Google Scholar]
  92. Al-wahaibiL.H. AmerA.A. MarzoukA.A. GomaaH.A.M. YoussifB.G.M. AbdelhamidA.A. Design, synthesis, and antibacterial screening of some novel heteroaryl-based ciprofloxacin derivatives as DNA gyrase and topoisomerase IV inhibitors.Pharmaceutics202114539910.3390/ph14050399
     [Google Scholar]
  93. AlagumuthuM. ArumugamS. Molecular docking, discovery, synthesis, and pharmacological properties of new 6-substituted-2-(3-phenoxyphenyl)-4-phenyl quinoline derivatives; an approach to developing potent DNA gyrase inhibitors/antibacterial agents.Bioorg. Med. Chem.20172541448145510.1016/j.bmc.2017.01.00728094220
     [Google Scholar]
  94. UpadhyayR. KumarR. JangraM. RanaR. NayalO.S. NandanwarH. MauryaS.K. Synthesis of bioactive complex small molecule–ciprofloxacin conjugates and evaluation of their antibacterial activity.ACS Comb. Sci.202022944044510.1021/acscombsci.0c0006032691584
     [Google Scholar]
  95. SzczupakŁ. KowalczykA. TrzybińskiD. WoźniakK. MendozaG. ArrueboM. SteverdingD. StączekP. KowalskiK. Organometallic ciprofloxacin conjugates with dual action: Synthesis, characterization, and antimicrobial and cytotoxicity studies.Dalton Trans.20204951403141510.1039/C9DT03948A31851200
     [Google Scholar]
  96. MillerA.A. TraczewskiM.M. HubandM.D. BradfordP.A. MuellerP. Determination of MIC quality control ranges for the novel gyrase inhibitor zoliflodacin.J. Clin. Microbiol.2019579e00567-1910.1128/JCM.00567‑19
     [Google Scholar]
  97. Er-rajyM. FadiliM.E. MujwarS. LendaF.Z. ZarouguiS. ElhallaouiM. QSAR, molecular docking, and molecular dynamics simulation–based design of novel anti-cancer drugs targeting thioredoxin reductase enzyme.Struct. Chem.20233441527154310.1007/s11224‑022‑02111‑x
     [Google Scholar]
  98. Ahmed JuvaleI.I. Abdul HamidA.A. Abd HalimK.B. Che HasA.T. P-glycoprotein: New insights into structure, physiological function, regulation and alterations in disease.Heliyon202286e0977710.1016/j.heliyon.2022.e0977735789865
     [Google Scholar]
  99. MiJ. ZhaoM. YangS. JiaY. WangY. WangB. JinJ. WangX. XiaoQ. HuJ. LiY. Identification of cytochrome P450 isoforms involved in the metabolism of Syl930, a selective S1PR 1 agonist acting as a potential therapeutic agent for autoimmune encephalitis.Drug Metab. Pharmacokinet.2017321536010.1016/j.dmpk.2016.07.00228126315
     [Google Scholar]
  100. KrishnaveniK. SabithaM. MuruganM. KandeepanC. RamyaS. LoganathanT. JayakumararajR. vNN model cross validation towards accuracy, sensitivity, specificity and kappa performance measures of β-caryophyllene using a restricted-unrestricted applicability domain on artificial intelligence & machine learning approach based in silico prediction.J. Drug Deliv. Ther.2022121-S12313110.22270/jddt.v12i1‑S.5222
     [Google Scholar]
  101. ChewD.J. DiBartolaS.P. SchenckP.A. Clinical evaluation of the urinary tract.Canine and Feline Nephrology and Urology2nd edElsevierSt. Louis, Mo.2011326210.1016/B978‑0‑7216‑8178‑8.10002‑8
     [Google Scholar]
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Quinoline Heterocyclic Clubbed Hydrazone Derivatives as Potential Inhibitors of Mutant S. aureus DNA Gyrase A; An In Silico Drug Discovery Approach -Molecular Docking, MD Simulation, DFT Analysis and ADMET Predictions
Curr. Med. Chem. 33, 958 (2026); https://doi.org/10.2174/0109298673370267250607160438
/content/journals/cmc/10.2174/0109298673370267250607160438
/content/journals/cmc/10.2174/0109298673370267250607160438
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  • Article Type:     Research Article
Keyword(s): ADMET predictions; antimicrobial resistance; DFT analysis; heterocyclic; in silico drug discovery; MD simulation; mutated S. aureus DNA gyrase A; Quinoline hydrazone derivatives

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