Abdel-Rahman A, Keshk E, Hanna M, El-Bady SM. Synthesis and evaluation of some new spiro indoline-based heterocycles as potentially active antimicrobial agents. Bioorg Med Chem. 2004;12(9):2483–8.

Article  CAS  PubMed  Google Scholar 

Alam S, Khan F. QSAR and docking studies on xanthone derivatives for anticancer activity targeting DNA topoisomerase IIα. Drug Des Dev Ther. 2014;8:183–95.

Google Scholar 

Ali TES. Synthesis and antibacterial activity of some new thiadiaza/triazaphospholes, thiadiaza/triaza/tetrazaphosphinines and thiadiaza/tetrazaphosphepines containing 1, 2, 4-triazinone moiety. Eur J Med Chem. 2009;44(11):4539–46.

Article  CAS  PubMed  Google Scholar 

Ayukekbong JA, Ntemgwa M, Atabe AN. The threat of antimicrobial resistance in developing countries: causes and control strategies. Antimicrob Resist Infect Control. 2017;6(1):1–8.

Article  Google Scholar 

Bahar I, Rader A. Coarse-grained normal mode analysis in structural biology. Curr Opin Struct Biol. 2005;15(5):586–92.

Article  CAS  PubMed  PubMed Central  Google Scholar 

Bhhatarai B, Wilson DM, Parks AK, Carney EW, Spencer PJ. Evaluation of TOPKAT, toxtree, and derek nexus in silico models for ocular irritation and development of a knowledge-based framework to improve the prediction of severe irritation. Chem Res Toxicol. 2016;29(5):810–22.

Article  CAS  PubMed  Google Scholar 

Case DA. Normal mode analysis of protein dynamics. Curr Opin Struct Biol. 1994;4(2):285–90.

Article  CAS  Google Scholar 

Chao Y, Marks LR, Pettigrew MM, Hakansson AP. Streptococcus pneumoniae biofilm formation and dispersion during colonization and disease. Front Cell Infect Microbiol. 2015;4:194.

Article  PubMed  PubMed Central  Google Scholar 

Chinthala Y, Domatti AK, Sarfaraz A, Singh SP, Arigari NK, Gupta N, et al. Synthesis, biological evaluation and molecular modeling studies of some novel thiazolidinediones with triazole ring. Eur J Med Chem. 2013;70:308–14.

Article  CAS  PubMed  Google Scholar 

Collin F, Karkare S, Maxwell A. Exploiting bacterial DNA gyrase as a drug target: current state and perspectives. Appl Microbiol Biotechnol. 2011;92:479–97.

Article  CAS  PubMed  PubMed Central  Google Scholar 

Doull J, Borzelleca JF, Becker R, Daston G, DeSesso J, Fan A, et al. Framework for use of toxicity screening tools in context-based decision-making. Food Chem Toxicol. 2007;45(5):759–96.

Article  CAS  PubMed  Google Scholar 

Drlica K, Malik M. Fluoroquinolones: action and resistance. Curr Top Med Chem. 2003;3(3):249–82.

Article  CAS  PubMed  Google Scholar 

Fair RJ, Tor Y. Antibiotics and bacterial resistance in the 21st century. Perspect Med Chem. 2014;6:PMC-S14459.

Fernandes P. Antibacterial discovery and development—the failure of success? Nat Biotechnol. 2006;24(12):1497–503.

Article  CAS  PubMed  Google Scholar 

Frejat FOA, Cao Y, Zhai H, Abdel-Aziz SA, Gomaa HA, Youssif BG, et al. Novel 1, 2, 4-oxadiazole/pyrrolidine hybrids as DNA gyrase and topoisomerase IV inhibitors with potential antibacterial activity. Arab J Chem. 2022;15(1):103538.

Article  CAS  Google Scholar 

Hasan MR, Chowdhury SM, Aziz MA, Shahriar A, Ahmed H, Khan MA, et al. In silico analysis of ciprofloxacin analogs as inhibitors of DNA gyrase of Staphylococcus aureus. Inform Med Unlocked. 2021;26:100748.

Article  Google Scholar 

Honorio KM, Moda TL, Andricopulo AD. Pharmacokinetic properties and in silico ADME modeling in drug discovery. Med Chem. 2013;9(2):163–76.

Article  CAS  PubMed  Google Scholar 

Hoque MN, Talukder AK, Saha O, Hasan MM, Sultana M, Rahman AA, et al. Antibiogram and virulence profiling reveals multidrug resistant Staphylococcus aureus as the predominant aetiology of subclinical mastitis in riverine buffaloes. Vet Med Sci. 2022;100:200. https://doi.org/10.1002/vms3.942.

Article  CAS  Google Scholar 

Jakhar R, Khichi A, Kumar D, Dangi M, Chhillar AK. Discovery of novel inhibitors of bacterial DNA gyrase using a QSAR-based approach. ACS Omega. 2022;7(36):32665–78.

Article  CAS  PubMed  PubMed Central  Google Scholar 

Jakhar R, Khichi A, Kumar D, Sura K, Bhoomika, Dangi M, et al. Development of pharmacophore model to identify potential DNA gyrase inhibitors. J Biomol Struct Dyn. 2022;100:1–11. https://doi.org/10.1080/07391102.2022.2153171.

Article  CAS  Google Scholar 

Jorgensen WL. The many roles of computation in drug discovery. Science. 2004;303(5665):1813–8.

Article  CAS  PubMed  Google Scholar 

Kakkar S, Narasimhan B. A comprehensive review on biological activities of oxazole derivatives. BMC Chem. 2019;13(1):1–24.

Article  Google Scholar 

Kampranis SC, Maxwell A. Conversion of DNA gyrase into a conventional type II topoisomerase. Proc Natl Acad Sci. 1996;93(25):14416–21.

Article  CAS  PubMed  PubMed Central  Google Scholar 

Karthikeyan M, Vyas R, Karthikeyan M, Vyas R. Open-source tools, techniques, and data in chemoinformatics. Pract Chemoinformatics. 2014;100:1–92. https://doi.org/10.1007/978-81-322-1780-0_1.

Article  Google Scholar 

Khan T, Sankhe K, Suvarna V, Sherje A, Patel K, Dravyakar B. DNA gyrase inhibitors: progress and synthesis of potent compounds as antibacterial agents. Biomed Pharmacother. 2018;103:923–38.

Article  CAS  PubMed  Google Scholar 

Kirchhausen T, Wang J, Harrison S. DNA gyrase and its complexes with DNA: direct observation by electron microscopy. Cell. 1985;41(3):933–43.

Article  CAS  PubMed  Google Scholar 

Kozyra P, Pitucha M. Terminal phenoxy group as a privileged moiety of the drug scaffold—a short review of most recent studies 2013–2022. Int J Mol Sci. 2022;23(16):8874.

Article  CAS  PubMed  PubMed Central  Google Scholar 

Lipinski CA. Lead-and drug-like compounds: the rule-of-five revolution. Drug Discov Today Technol. 2004;1(4):337–41.

Article  CAS  PubMed  Google Scholar 

Lister JL, Horswill AR. Staphylococcus aureus biofilms: recent developments in biofilm dispersal. Front Cell Infect Microbiol. 2014;4:178.

Article  PubMed  PubMed Central  Google Scholar 

Liu H, Xia D-G, Chu Z-W, Hu R, Cheng X, Lv X-H. Novel coumarin-thiazolyl ester derivatives as potential DNA gyrase inhibitors: design, synthesis, and antibacterial activity. Bioorg Chem. 2020;100:103907.

Article  CAS  PubMed  Google Scholar 

Lucchini J, Corre J, Cremieux A. Antibacterial activity of phenolic compounds and aromatic alcohols. Res Microbiol. 1990;141(4):499–510.

Article  CAS  PubMed  Google Scholar 

Maxwell A. DNA gyrase as a drug target. Trends Microbiol. 1997;5(3):102–9.

Article  CAS  PubMed  Google Scholar 

Maxwell A, Lawson DM. The ATP-binding site of type II topoisomerases as a target for antibacterial drugs. Curr Top Med Chem. 2003;3(3):283–303.

Article  CAS  PubMed  Google Scholar 

Merino A, Madden KR, Lane WS, Champoux JJ, Reinberg D. DNA topoisomerase I is involved in both repression and activation of transcription. Nature. 1993;365(6443):227–32.

Article  CAS  PubMed  Google Scholar 

Mishra MP, Debata NK, Padhy RN. Surveillance of multidrug resistant uropathogenic bacteria in hospitalized patients in Indian. Asian Pac J Trop Biomed. 2013;3(4):315–24.

Article  CAS  PubMed  PubMed Central  Google Scholar 

Mohammadian F, Rahmani HK, Bidarian B, Khoramian B. Isolation and evaluation of the efficacy of bacteriophages against multidrug-resistant (MDR), methicillin-resistant (MRSA) and biofilm-producing strains of Staphylococcus aureus recovered from bovine mastitis. BMC Vet Res. 2022;18(1):406.

Article  PubMed  PubMed Central  Google Scholar 

Mohammed HH, Ali DME, Badr M, Habib AG, Mahmoud AM, Farhan SM, et al. Synthesis and molecular docking of new N 4-piperazinyl ciprofloxacin hybrids as antimicrobial DNA gyrase inhibitors. Mol Divers. 2022; 1–15.

Mone NS, Kamble EE, Pardesi KR, Satpute SK. Antibacterial and antibiofilm potency of menadione against multidrug-resistant S. aureus. Curr Microbiol. 2022;79(9):282.

Article  CAS  PubMed  Google Scholar 

Morris GM, Goodsell DS, Halliday RS, Huey R, Hart WE, Belew RK, et al. Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function. J Comput Chem. 1998;19(14):1639–62.

Article  CAS  Google Scholar 

Morris GM, Huey R, Lindstrom W, Sanner MF, Belew RK, Goodsell DS, et al. AutoDock4 and AutoDockTools4: automated docking with selective receptor flexibility. J Comput Chem. 2009;30(16):2785–91.

Article