An Eco-Friendly Technique: Solvent-Free Microwave Synthesis and Docking Studies of Some New Pyridine Nucleosides and Their Pharmacological Significance.
Majed AlrobaianSana Al AzwariAmany BelalHany A EldeabPublished in: Molecules (Basel, Switzerland) (2019)
Two series of novel 5-arylazo-3-cyano-2-(2″,3″,4″,6″-tetra-O-acetyl-β-d-galacto pyranosyloxy) pyridines and 3-cyano-2-(2″,3″,4″,6″-tetra-O-acetyl-β-d-galactopyranosyloxy) pyridines were synthesized in high yields utilizing a microwave-assisted synthesis tool guided by the principles of green chemistry. The chemical structures of the new substances were confirmed on the basis of their elemental analysis and spectroscopic data (FT-IR, 1D, 2D-NMR). Activity against different bacterial strains was studied. The anticancer potential of the new compounds is also discussed. Molecular docking was used as a tool in this research work to get better insight into the possible interactions, affinities, and expected modes of binding of the most promising derivatives of the potential chemotherapeutic target (DHFR).
Keyphrases
- molecular docking
- molecular dynamics simulations
- high resolution
- magnetic resonance
- escherichia coli
- molecular dynamics
- electronic health record
- solid state
- drinking water
- ionic liquid
- machine learning
- big data
- drug discovery
- transcription factor
- climate change
- protein protein
- artificial intelligence
- radiofrequency ablation
- data analysis