Novel Hybrid Heterocycles Based on 1,4-Diphenylpiperazine Moiety: Synthesis via Hantzsch and Biginelli Reactions, Molecular Docking Simulation, and Antimicrobial Activities
Year: 2025
Type: article
Abstract: High Resolution Image Download MS PowerPoint Slide In this study, we have developed new hybrid compounds by connecting bis-heterocycles with the 1,4-diphenylpiperazine core. This is performed by combining 4,4′-(piperazine-1,4-diyl)dibenzaldehyde with the necessary reagents via Hantzsch and Biginelli reactions. The structures of the newly synthesized compounds are determined by elemental analysis, 1 H NMR, 13 C NMR, IR, and mass spectrometry (MS) spectra. The antimicrobial activities of the tested compounds were evaluated. Compounds 10 and 39 exhibited notable antibacterial effects, whereas compound 15 showed antifungal activity, and compound 34 demonstrated antibacterial and antifungal properties. Molecular docking studies against tyrosinase (UniProt ID: P06845.TYRO_STRGA) revealed that compounds 10 and 39 achieved the highest binding affinity (Δ G = – 9.1 kcal/mol), forming 12 and 3 interactions, respectively.
Source: ACS Omega
Authors: Hadeer M. Diab, Mostafa E. Salem, Manal Abdellatif, Mona M. Soliman, Ismail A. Abdelhamid, Ahmed H. M. Elwahy, Nadeem Raza, Yassmen A. El-Gabry
Institutions: Cairo University, Imam Mohammad ibn Saud Islamic University
Language: English
Subfield: Organic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $1,935
Award: G577465324
OpenAlex ID: W4413970171