Synthesis, computational studies and evaluation of benzisoxazole tethered 1,2,4-triazoles as anticancer and antimicrobial agents

INIS

• evaluation 100%
• synthesis 100%
• ligands 100%
• antimicrobial agents 100%
• triazoles 100%
• proteins 66%
• strains 66%
• nmr 66%
• staphylococcus 66%
• mycobacterium 66%
• molecular orbital method 66%
• cancer 33%
• interactions 33%
• candida 33%
• hydrogen 1 33%
• mass spectrometry 33%
• carbon 13 33%
• escherichia coli 33%
• yields 33%
• hardness 33%
• simulation 33%
• density functional method 33%
• molecular dynamics method 33%
• electronegativity 33%

Chemistry

• 1,2,4-Triazole 100%
• Benzisoxazole 100%
• Bioactivity 50%
• IC50 50%
• Mass Spectrometry 50%
• 1H NMR Spectroscopy 50%
• 13C NMR Spectroscopy 50%
• Antimicrobial Agent 50%
• MIC 50%
• Density Functional Theory Study 50%
• Lowest Unoccupied Molecular Orbital 50%
• Highest Occupied Molecular Orbital 50%
• Electronegativity 50%
• Electrophilicity 50%
• formation 50%
• Molecular Docking 50%
• Molecular Dynamics Simulation 50%

Pharmacology, Toxicology and Pharmaceutical Science

• Antiinfective Agent 100%
• Triazole Derivative 100%
• Staphylococcus Aureus 100%
• Mycobacterium Smegmatis 100%
• Molecular Orbital 100%
• Biological Activity 50%
• Candida Albicans 50%
• Malignant Neoplasm 50%
• Carbon 13 50%
• Escherichia coli 50%
• Electronegativity 50%
• Histone Deacetylase 7 50%
• IC50 50%
• Antimicrobial Agent 50%