In vitro and in silico assessment of bioactivity properties and pharmacokinetic studies of new 3,5-disubstituted-1,2,4-triazoles

Hira Amjad,Muhammad Athar Abbasi,Sabahat Zahra Siddiqui,Javed Iqbal,Shahid Rasool,Muhammad Ashraf,Safdar Hussain,Syed Adnan Ali Shah,Syahrul Imran,Muhammad Shahid,Arslan Rasool,Muhammad Tjammal Rehman,Aziz ur Rehman

Journal of Molecular Structure（2023）

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摘要

•Multistep synthesis resulted heterocyclic derivatives.•One compound potent inhibitor of AChE & BChE and seven of urease.•Biofilm formation revealed a few antibacterial agents.•Low toxicity revealed by hemolysis, drug-likeness by ADMET and binding by molecular docking.

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关键词

1,2,4-Triazole,Sulfonamide,Piperidine,Enzyme inhibition,Biofilm inhibition,ADMET

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