Structural engineering, BSA binding and computational analysis of isonipacotate based enzyme inhibitors containing 1,2,4-triazole
Naeem A. Virk, Aziz-ur-Rehman, Javed Iqbal, Tahir Ali Chohan, Abdullah R. Alzahrani, Talha Jawaid, Zia Ur Rehman, Abida Khan
TL;DR
This paper presents the synthesis and analysis of new enzyme inhibitors based on 1,2,4-triazole compounds, showing promising activity against several enzymes.
Contribution
The study introduces novel piperidine-based triazole analogues with improved enzyme inhibition properties.
Findings
Compound 7h showed the best inhibition of AChE with an IC50 of 1.29 μM.
Compound 7i was the most active against BChE and 15-LOX.
Most analogues outperformed standard drugs in α-Glucosidase inhibition.
Abstract
Synthetic chemistry facing little difficulties in C–C, C–S, and C–N double bonds activation is a very long-standing challenge. The current studies based on the development of C–N double and single bond, N–N bond and C–S in the trizole and azinane merged rings into single unit. The targeted compounds were obtained through metal free, microwave assisted and conventional techniques. The present work covers sulfonamide, hydrazide synthesis, 1,2,4-triazole, and thioether synthesis to produce piperidine-based triazole analogues (7a-j). An array of electrophiles (6a-j) was treated with 1,2,4-triazole (5) under conventional (59–72% yield) and microwave assisted (87–95% yield) protocols to acquire the targeted molecules (7a-j). The proton and carbon NMR, and IR techniques were used for structural characterization. The analogues (7a-j) were screened against BChE, α-Glucosidase, 15-LOX, and AChE…
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Taxonomy
TopicsClick Chemistry and Applications · Enzyme function and inhibition · Carbohydrate Chemistry and Synthesis