Synthesis, characterization, biological activities, and computational studies of pyrazolyl–thiazole derivatives of thiophene
Seema K. Bhagwat, Tushar Janardan Pawar, Sayali A. Kulkarni, Amar Patil, Rahul A. More, J. Óscar C. Jiménez‐Halla, J. A. SALAZAR, José Luís Olivares-Romero, Ghazala Muteeb, Enrique Delgado‐Alvarado, Sachin V. Patil
Abstract
), demonstrating significant inhibition zones and low minimum inhibitory concentrations (MIC). In addition, the compounds exhibited notable antioxidant activities in DPPH and hydroxyl radical scavenging assays. Computational studies, including density functional theory (DFT) calculations and molecular docking simulations, were performed to understand the electronic properties and binding interactions of the synthesized compounds with biological targets. The molecular docking results supported the experimental findings, highlighting the potential of these pyrazolyl-thiazole derivatives as multifunctional therapeutic agents with both antimicrobial and antioxidant properties.