Design, Synthesis, and Pharmacological Evaluation of Piperazine Hydrazide Derivatives as Potential CNS-Active Antidepressants: MAO-A Inhibition and In Silico Docking Studies on Protein 2BXR and N1 Neuraminidase (PDB 2HU4) for Alzheimer's Disease

Authors

  • Piyush Kumar Singhal, Arvind Kumar, Bhuwanendra Singh, Vaishali, Mahima, Ruchi, Supriya, Shahin Saifi Author

DOI:

https://doi.org/10.48047/CU/54/02/1594-1611

Keywords:

Molecular docking, blood-brain barrier, forced swimming test, antidepressant, piperazine-substituted oxadiazoles, and drug-like characteristics.

Abstract

Since piperazine-substituted oxadiazoles have the potential to be kinase inhibitors, antibacterial agents, and medications that target the central nervous system (CNS), their synthesis and evaluation have attracted a lot of attention. In this work, six novel piperazine-oxadiazole derivatives (VSM 1–VSM 6) are designed, synthesised, and biologically evaluated. The compounds were created via condensation processes, hydrazinolysis, and nucleophilic substitution, producing stable heterocyclic structures. Extensive molecular docking studies and spectrum analysis (IR, NMR) were conducted, and in silico predictions suggested promising drug-like qualities. The substances demonstrated minimal toxicity, high oral bioavailability, and blood-brain barrier (BBB) penetration.

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References

Lombardino, J.G. and Lowe III, J.A. (2004) The role of the medicinal chemist in drug discovery—then and now. Nature Reviews Drug Discovery 3 (10), 853-862

Hu, W. et al. (2018) Discovery of novel topoisomerase II inhibitors by medicinal chemistry approaches. Journal of Medicinal Chemistry 61 (20), 8947-8980

Müller, G. (2003) Medicinal chemistry of target family-directed masterkeys. Drug Discovery Today 8 (15), 681-691

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Published

2025-01-10

How to Cite

Design, Synthesis, and Pharmacological Evaluation of Piperazine Hydrazide Derivatives as Potential CNS-Active Antidepressants: MAO-A Inhibition and In Silico Docking Studies on Protein 2BXR and N1 Neuraminidase (PDB 2HU4) for Alzheimer’s Disease (Piyush Kumar Singhal, Arvind Kumar, Bhuwanendra Singh, Vaishali, Mahima, Ruchi, Supriya, Shahin Saifi , Trans.). (2025). Cuestiones De Fisioterapia, 54(2), 1594-1611. https://doi.org/10.48047/CU/54/02/1594-1611