Bioorganic chemistryHumansQuinolinesAntineoplastic AgentsMolecular Docking SimulationPyrazoles
Multi-target exploration of newly synthesized pyrazoline-quinoline derivatives via in vitro screening, QSAR, molecular docking, MD simulations, and DFT analysis.
Himanshu Singh, Rajnish Kumar, Avijit Mazumder
Published: 202610.1016/j.bioorg.2025.109369
Abstract
The development of multifunctional therapeutic agents remains a promising strategy in modern drug discovery, particularly for diseases associated with oxidative stress, bacterial infections, and cancer progression. In this study, a new series of [5-(…
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