Molecular Docking and ADMET Profiling of Novel Isoxazole-Based Compounds for Cancer Therapy

Since isoxazole derivatives have a variety of pharmacological actions, such as antibacterial, anticancer, and anti-inflammatory qualities, they are frequently investigated in drug discovery. We created and assessed new isoxazole derivatives in this work based on their molecular interactions with a chosen therapeutic target and pharmacokinetic characteristics. To use computational methods to evaluate novel isoxazole derivatives' drug-likeness, binding affinity, and ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) characteristics.