phytochemical repurposing of natural molecules as entry inhibitors against RBD of the spike protein of SARS-CoV-2 using molecular docking studies.
Pawan GuptaSwati GuptaSukrat SinhaShanthy SundaramVishnu K. SharmaAnjana MunshiPublished in: Int. J. Comput. Biol. Drug Des. (2023)
Keyphrases
- molecular structures
- hiv protease
- virtual screening
- chemical reactions
- protein protein interactions
- coarse grained
- augmented reality
- three dimensional
- drug discovery
- sequence analysis
- protein structure prediction
- molecular dynamics
- fine grained
- protein protein
- molecular interactions
- human immunodeficiency virus
- mass spectrometry
- protein sequences
- ligand docking
- molecular structure
- chemical compounds
- binding sites
- computational approaches
- protein folding
- public health
- drug resistance
- amino acids
- molecular dynamics simulations
- protein structure