Molecular hybrid of 1,2,3-triazole and schiff base as potential antibacterial agents: DFT, molecular docking and ADME studies

Keyphrases

• 1,2,3-triazole 100%
• 13C NMR 100%
• 1H nuclear Magnetic Resonance (1H NMR) 50%
• Absorption Distribution 100%
• Absorption Parameter 50%
• Absorption Studies 100%
• Active Pharmaceutical Ingredients 100%
• Antibacterial Activity 100%
• Antibacterial Agents 100%
• Antibacterial Drug Resistance 50%
• Bacterial Strains 50%
• Benzylic 50%
• Bioactivity Evaluation 50%
• Chemical Structure 50%
• Compound 7 50%
• Cytotoxicity Test 50%
• Distribution Parameter 50%
• Distribution Studies 100%
• Drug Offers 50%
• Drug-likeness 50%
• Electron-withdrawing 50%
• Escherichia Coli 50%
• Excretion Parameters 50%
• Excretion Study 100%
• Hybrid Drugs 100%
• Klebsiella Pneumoniae (K. pneumoniae) 50%
• Liquid Chromatography-high Resolution Mass Spectrometry (LC-HRMS) 50%
• Metabolism Parameters 50%
• Metabolism Study 100%
• Minimum Inhibitory Concentration 50%
• Molecular Absorption 100%
• Molecular Docking 100%
• Molecular Docking Studies 100%
• Molecular Hybrids 100%
• Molinspiration 50%
• Multiple Benefits 50%
• Mycobacterium Smegmatis 50%
• Orally Active 50%
• Physicochemical Properties 50%
• Potential Drugs 100%
• PreADMET 50%
• Precursor Compounds 50%
• Primary Amines 50%
• Proteus Mirabilis 50%
• Saving Money 50%
• Saving Time 50%
• SC-XRD Analysis 50%
• Schiff Base 100%
• Schiff Base Compounds 50%
• Specific Bacteria 50%
• Structure-activity Relationship 50%
• Synthesized Compounds 50%
• Triazole 50%

Pharmacology, Toxicology and Pharmaceutical Science

• Amine 33%
• Antibacterial Activity 66%
• Antibiotic Resistance 33%
• Antiinfective Agent 100%
• Bacterium 33%
• Carbon 13 33%
• Cytotoxicity 33%
• Escherichia Coli Pneumonia 33%
• Imine 100%
• Klebsiella pneumoniae 33%
• Minimum Inhibitory Concentration 33%
• Mycobacterium Smegmatis 33%
• Proteus mirabilis 33%
• Structure Activity Relationship 33%
• Triazole 100%