QSAR, homology modeling, and docking simulation on SARS-CoV-2 and pseudomonas aeruginosa inhibitors, ADMET, and molecular dynamic simulations to find a possible oral lead candidate.
Emmanuel Israel EdacheAdamu UzairuPaul Andrew MamzaGideon Adamu ShallangwaPublished in: Journal, genetic engineering & biotechnology (2022)
Our acknowledged drugs could be a proficient cure for SARS-CoV-2 and Pseudomonas aeruginosa drug discovery, having said that extra testing (in vitro and in vivo) is essential to explain their latent as novel drugs and manner of action.
Keyphrases
- sars cov
- pseudomonas aeruginosa
- drug discovery
- molecular dynamics
- molecular docking
- cystic fibrosis
- respiratory syndrome coronavirus
- biofilm formation
- acinetobacter baumannii
- molecular dynamics simulations
- protein protein
- drug induced
- staphylococcus aureus
- drug resistant
- small molecule
- single molecule
- multidrug resistant
- structure activity relationship