Molecular Docking and ADMET Profiling of Novel Isoxazole-Based Compounds for Cancer Therapy
Year: 2025
Type: article
Abstract: 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.
Author: Arya Kate, Pranav Sargar, Viganesh Mnugade, Shreya Gouraje, Rohan Patil
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W7083304998
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