Synthesis of vanillin-coupled 1, 2, 3-triazoles via click reaction: molecular modeling, structure activity correlation by DFT, ADMET and antibacterial studies.

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Title: Synthesis of vanillin-coupled 1, 2, 3-triazoles via click reaction: molecular modeling, structure activity correlation by DFT, ADMET and antibacterial studies.
Authors: Ejaz, Syeda Abida1 (AUTHOR) abida.ejaz@iub.edu.pk, Hussain, Mumtaz2 (AUTHOR), Channar, Pervaiz Ali3 (AUTHOR) pervaiz.ali@duet.edu.pk, Hussain, Zahid2 (AUTHOR) zahidhussain@uok.edu.pk, Aziz, Mubashir1 (AUTHOR), Bux, Khair4 (AUTHOR), Ujan, Rabail5 (AUTHOR), Shah, Muhammad Raza6 (AUTHOR), Wani, Tanveer A.7 (AUTHOR), Zargar, Seema8 (AUTHOR), Herwig, Ralf9,10 (AUTHOR)
Source: Chemical Papers. May2025, Vol. 79 Issue 5, p2895-2910. 16p.
Database: Academic Search Ultimate
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ISSN:03666352
DOI:10.1007/s11696-025-03975-z