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ISSN 2063-5346
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Design, Synthesis, Characterization, Molecular Docking and Antimicrobial Properties of New 1,2,4-Triazole Derivatives

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P.N. SHINDE1*, S.V. SAWANT2 ,RAJEGHADAGE S.H3., MITKAL M.D.
ยป doi: 10.48047/ecb/2023.12.7.51

Abstract

In present study we report synthesis, characterization, antimicrobial activity and docking study of 1,2,4 โ€“ Triazole derivatives. 1-formyl-4-methyl-3-thiosemicarbazide used as starting material triazole Schiff bases (4a-f) were synthesized by reaction of hydrazide with various aromatic aldehydes in glacial acetic acid medium. Melting point, TLC, and spectral analyses, including IR and NMR, were used to confirm the structures of the numerous synthesized compounds. The newly synthesized compounds were tested for antibacterial and antifungal activity against bacterial pathogens S.aureus, E.coli and fungal species C.albicans and A.niger. The prepared derivatives underwent a docking study.The observations have demonstrated that when an aromatic ring is substituted, antibacterial activity decreases, whereas antifungal activity of N'-[(E)-(4-methoxyphenyl)methylidene]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide (4d) against C. albicans and A. niger was at its peak. According to docking studies, compound 4d interacts with glucosamine-6-phosphate synthase through hydrogen bonds, arene-arene interactions, and hydrophobic interactions. The docking results for compound 4d were exactly in line with what the MIC found for that molecule.

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