<abstract xmlns="http://www.w3.org/1999/xhtml">

<p>N-Substituted phenyl/cyclohexyl-2-(pyridine-4-carbonyl) hydrazine-1-carbothioamides (2a–r) were synthesized, characterized by spectral and analytical data. The compounds were evaluated for antibacterial activity by the disc diffusion method. Most of the compounds showed activity against Gram-positive bacteria. Compound 2h with 4-Sulfapyrimidine phenyl substitution was found to be the most promising candidate, active against Gram-positive and methicillin-resistant <italic>Staphylococcus aureus</italic> (MRSA) strains with minimum inhibitory concentration (MIC) of (2–7 μg/mL). From the docking study, we predicted that compounds (2r, 2g, 2h, 2o, 2p and 2e) possess better antibacterial activity by having a good binding affinity with target protein and they could be used as potential drugs as antimicrobials. Amongst all the docked compounds, the compound 2h presented near binding affinity &amp; interaction docking score with DNA gyrase enzymes with reference to ciprofloxacin.</p>
</abstract>

N-Substituted phenyl/cyclohexyl-2-(pyridine-4-carbonyl) hydrazine-1-carbothioamides (2a–r) were synthesized, characterized by spectral and analytical data. The compounds were evaluated for antibacterial activity by the disc diffusion method. Most of the compounds showed activity against Gram-positive bacteria. Compound 2h with 4-Sulfapyrimidine phenyl substitution was found to be the most promising candidate, active against Gram-positive and methicillin-resistant Staphylococcus aureus (MRSA) strains with minimum inhibitory concentration (MIC) of (2–7 μg/mL). From the docking study, we predicted that compounds (2r, 2g, 2h, 2o, 2p and 2e) possess better antibacterial activity by having a good binding affinity with target protein and they could be used as potential drugs as antimicrobials. Amongst all the docked compounds, the compound 2h presented near binding affinity & interaction docking score with DNA gyrase enzymes with reference to ciprofloxacin.

Synthesis, molecular modelling and antibacterial activity of 4-aryl-thiosemicarbazides

Department of Pharmacology and Toxicology

Polish Journal of Chemical Technology

This work is licensed under the Creative Commons Attribution 4.0 International License.

N-Substituted phenyl/cyclohexyl-2-(pyridine-4-carbonyl) hydrazine-1-carbothioamides (2a–r) were synthesized, characterized by spectral and analytical data. The...

Synthesis, molecular modelling and antibacterial activity of 4-aryl-thiosemicarbazides

Data publikacji: 13 kwi 2022

Zakres stron: 39 - 46

DOI: https://doi.org/10.2478/pjct-2022-0006

Słowa kluczowe
Aryl-thiosemicarbazides, antibacterial activity, molecular docking, DNAGyrase

© 2022 Mashooq Ahmad Bhat et al., published by Sciendo

This work is licensed under the Creative Commons Attribution 4.0 International License.

Synthesis, molecular modelling and antibacterial activity of 4-aryl-thiosemicarbazides

Data publikacji: 13 kwi 2022

Zakres stron: 39 - 46

DOI: https://doi.org/10.2478/pjct-2022-0006

Słowa kluczoweAryl-thiosemicarbazides, antibacterial activity, molecular docking, DNAGyrase

© 2022 Mashooq Ahmad Bhat et al., published by Sciendo

This work is licensed under the Creative Commons Attribution 4.0 International License.

Słowa kluczowe
Aryl-thiosemicarbazides, antibacterial activity, molecular docking, DNAGyrase