Discovery of oxazoline-triazole based hybrid molecules as DNA gyrase inhibitors: A new class of potential Anti-tubercular agents

Shinde, Suraj; Inamdar, Shaukatali N.; Shinde, Mahadev P.; Pawar, Chandrakant D.; Kushwaha, Babita; Obakachi, Vincent A.; Kajee, Afsana; Chauhan, Ruchika; Karpoormath, Rajshekhar

doi:10.1016/j.molstruc.2022.134243

Cited by 8 publications

(5 citation statements)

References 44 publications

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“…48 The detailed procedure is given in our previously published paper. 49 In brief, various concentrations of test compounds were prepared in DMSO and added to the reaction mixture, followed by the addition of two units of the DNA gyrase enzyme. Ciprofloxacin was tested in the same experiment as the standard for comparison.…”

Section: Methodsmentioning

confidence: 99%

“…The assay was carried out using established protocols obtained from TopoGEN, Inc. (Buena Vista, Colorado, USA) . The detailed procedure is given in our previously published paper . In brief, various concentrations of test compounds were prepared in DMSO and added to the reaction mixture, followed by the addition of two units of the DNA gyrase enzyme.…”

Section: Methodsmentioning

confidence: 99%

“…The positive control was the relaxed pBR322 DNA+ DNA gyrase enzyme (without the test compound). The negative control was relaxed pBR322 DNA without the DNA gyrase enzyme …”

Section: Methodsmentioning

confidence: 99%

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Isoflavonoid and Furanochromone Natural Products as Potential DNA Gyrase Inhibitors: Computational, Spectral, and Antimycobacterial Studies

et al. 2023

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In pursuit of new antitubercular agents, we here report the antimycobacterial (H 37 Rv) and DNA gyrase inhibitory potential of daidzein and khellin natural products (NPs). We procured a total of 16 NPs based on their pharmacophoric similarities with known antimycobacterial compounds. The H 37 Rv strain of M. tuberculosis was found to be susceptible to only two out of the 16 NPs procured; specifically, daidzein and khellin each exhibited an MIC of 25 μg/mL. Moreover, daidzein and khellin inhibited the DNA gyrase enzyme with IC 50 values of 0.042 and 0.822 μg/mL, respectively, compared to ciprofloxacin with an IC 50 value of 0.018 μg/mL. Daidzein and khellin were found to have lower toxicity toward the vero cell line, with IC 50 values of 160.81 and 300.23 μg/mL, respectively. Further, molecular docking study and MD simulation of daidzein indicated that it remained stable inside the cavity of DNA GyrB domain for 100 ns.

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Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

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Isoflavonoid and Furanochromone Natural Products as Potential DNA Gyrase Inhibitors: Computational, Spectral, and Antimycobacterial Studies

et al. 2023

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“…Singh et al reported the antibacterial activity of aminopyrimidine-sulfonamide (APYS1) against M. tuberculosis. Figure 4 depicts the aminopyrimidine-sulfonamides (13)(14)(15) which exhibit low cytotoxicity and good potency against replicating M. tuberculosis (H37Rv). Among them, compound 13 showed the highest potency with a minimal bactericidal concentration (MBC99) of 0.6 mM, which is comparable to its minimal inhibitory concentration (MIC) of 0.3-0.6 mM.…”

Section: Sulfonamide Derivatives As Antimycobacterial Agentsmentioning

confidence: 99%

“…Sulphanilamide, the frst sulfonamide antibiotic, was initially synthesized in 1906 and later employed in the late 1930s as an antimicrobial agent [4]. For many years, sulfonamide has been utilized in a broad range of biological activities, including anti-HIV, antifungal, anticancer, antibacterial, antitumor, antituberculosis, antiinfammatory, insecticidal, antidiabetes, and antihepatitis applications [5][6][7][8][9][10][11][12][13]. Tese signifcant functions are attributed to biologically active molecules and their association with fve or six heterocyclicmembered rings linked to the sulfonyl group [14].…”

Section: Introductionmentioning

confidence: 99%

Research Progress in HIV and Mycobacterium tuberculosis Inhibitors Containing Sulfonamide Moiety

Salubi

2023

Journal of Chemistry

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Numerous studies have reported significant results regarding the efficacy of sulfonamides against Mycobacterium tuberculosis and various HIV strains. This scientific paper provides an overview of the progress made over a decade of sulfonamides against HIV-1 and mycobacteria and its development against extremely drug-resistant (XDR) and multidrug-resistant strains. The reviewed study offers novel insights into the structural design and structure-activity relationship (SAR) of sulfonamides that are effective and less toxic in combating HIV, Mycobacterium tuberculosis, and multidrug resistance.

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Synthesis of thiazolo[3,2-a]pyrimidine molecules, in vitro cytotoxic evaluation and molecular docking studies

Jadeja

Savant

2023

J IRAN CHEM SOC

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Discovery of oxazoline-triazole based hybrid molecules as DNA gyrase inhibitors: A new class of potential Anti-tubercular agents

Cited by 8 publications

References 44 publications

Isoflavonoid and Furanochromone Natural Products as Potential DNA Gyrase Inhibitors: Computational, Spectral, and Antimycobacterial Studies

Isoflavonoid and Furanochromone Natural Products as Potential DNA Gyrase Inhibitors: Computational, Spectral, and Antimycobacterial Studies

Research Progress in HIV and Mycobacterium tuberculosis Inhibitors Containing Sulfonamide Moiety

Synthesis of thiazolo[3,2-a]pyrimidine molecules, in vitro cytotoxic evaluation and molecular docking studies

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