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S. Manap

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Open access Sep 2026

Synthesis, DFT Characterization and In Silico Evaluation of 1-(4-Methylpiperazin-1-yl-methyl)-3-benzyl-4-(4-hydroxybenzylideneamino)-4,5-dihydro-1H-1,2,4-triazol-5-one (MBHT)

In this study, the compound 1-(4-methylpiperazin-1-yl-methyl)-3-benzyl-4-(4-hydroxybenzylideneamino)-4,5-dihydro-1H-1,2,4-triazol-5-one (MBHT), synthesized using the Mannich reaction, was comprehensively investigated using theoretical methods. The stable geometry of the molecule was optimized using the B3LYP and B3PW91...

Songül Boy, Kenan Gören, Mehmet Bağlan et al. · 0 citations
Open access Aug 2026

Spectroscopic Characterization, DFT Analysis, Molecular Docking and ADMET Evaluation 1-(4-Methylpiperazin-1-ylmethyl)-3-p-chlorobenzyl-4-(4-hydroxybenzylideneamino)-4,5-dihydro-1H-1,2,4-triazol-5-one

The compound's pharmacokinetic properties were assessed using ADMET analysis, which highlighted the molecule's possible drug-like qualities by looking at factors like Lipinski's "rule of five," bioavailability, water solubility, gastrointestinal absorption, and blood-brain barrier permeability.

Songül Boy, Kenan Gören, Mehmet Bağlan et al. · 0 citations

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