ISSN print edition: 0366-6352 ISSN electronic edition: 1336-9075 Registr. No.: MK SR 9/7 Published monthly

Synthesis of novel pyrazole derivatives: in silico calculations, antimicrobial and insecticidal activity

Arif Mermer, Sibel Yorulmaz, and Burak Tüzün

Faculty of Pharmacy, University of Health Sciences, Istanbul, Turkey

E-mail: arif.mermer@sbu.edu.tr

Received: 13 February 2026  Accepted: 9 June 2026

Abstract:

Insecticides play a vital role in protecting agricultural products, ensuring food safety and facilitating human life. However, their widespread and unthinking use is causing resistance and cross-resistance in insects, as well as serious environmental pollution. In this study, molecular docking studies were carried out on compounds with different heterocyclic structures designed against GABA and ryanodine receptors. The results showed 1.5-fold better binding affinity than chlorantraniliprole for both targets. In addition, in silico ADME calculations of the compounds were carried out before proceeding to the synthetic step of the study. Eight novel compounds were selected and synthesized for both target receptors, exhibiting the most active physicochemical/pharmacokinetic properties. Insecticidal activities were performed in two pest species: M. percisace and T. vaporariorum and compounds 5a and 5d were found to be most potent against adult and nymph species M. percisace and T. vaporariorum, respectively. These compounds also exhibited the best antimicrobial activity.

Keywords: Pyrazole–hydrazone hybrids; Insecticidal activity; Molecular docking; Myzus persicae; Trialeurodes vaporariorum; ADME

Full paper is available at www.springerlink.com.

DOI: 10.1007/s11696-026-05197-3

Chemical Papers 80 (11) 13545–13562 (2026)