Triazine–Salicylate–Aniline Hybrids as Potential Anticancer Agents: Virtual Molecular Hybridization, ADMET, Molecular Docking, Molecular Dynamics, MMGBSA and DFT Studies

Chemistry

• Molecular Dynamics 100%
• Density Functional Theory 100%
• Molecular Docking 100%
• Ethylenediamine 66%
• Pharmacokinetics 33%
• Growth Factor 33%
• Electronic Property 33%
• 1,3,5-triazine 33%
• Kd 33%
• Binding Energy 33%
• Free Energy 33%
• new drug 33%
• Salicylate 33%
• Molecular Dynamics Simulation 33%

Keyphrases

• In Silico ADMET 33%
• Relative Activity 33%
• Lipinski's Rule 33%
• Ethylenediamine Groups 33%
• HER2 Breast Cancer 33%
• DFT Results 33%

Biochemistry, Genetics and Molecular Biology

• In silico ADMET 25%