New isoxazoline‐linked 1,3,4‐thiadiazole derivatives: Synthesis, antiproliferative activity, molecular docking, molecular dynamics and DFT

Chemistry

• Molecular Dynamics 100%
• Density Functional Theory 100%
• Antiproliferative 100%
• Isoxazoline 66%
• 1,3,4-thiadiazole 66%
• stability 33%
• Kd 33%
• High Resolution Mass Spectrometry (HRMS) 33%
• NMR Spectroscopy 33%
• electronics 33%
• Frontier Orbital 33%
• Molecular Model 33%

Pharmacology, Toxicology and Pharmaceutical Science

• Antiproliferative Activity 100%
• Caspase 3 100%
• Thiadiazoles 100%
• Malignant Neoplasm 50%
• Molecular Orbital 50%
• Caspase 50%
• Chemical Stability 50%
• Isoxazoline Derivative 50%