Synthesis, Characterization, Anti-Mycobacterial Evaluation and In-Silico Molecular Docking of Novel Isoxazole Clubbed Pyrimidine Derivatives

In the present research, we tend to ready a series of novel pyrimidine-linked isoxazole derivatives (11-20). The molecular structure and elemental composition these compounds were confirmed by spectroscopic studies analysis. MABA (Microplate alamar Blue Assay) assay was employed for assessing antitubercular activity against Mycobacterium tuberculosis H37Rv strain. Among ten synthesized compounds, 18 20 showed excellent anti-tubercular than reference (MIC-3.125 µg/ml) at 0.78 µg/mL. found possess good binding affinity standard thymidylate kinase enzyme (PDB-1MRS) as evidenced docking studies. Additionally, bioactivity conducted Mol-inspiration software tool drug-likeness property evaluated on Lipinski's rule five SCFBio online software. lead identified through could be useful furtherance drug discovery process in area research.