Identification of a Novel Inhibitor of Dengue Virus Protease through Use of a Virtual Screening Drug Discovery Web Portal

Keyphrases

• Dengue Protease 100%
• Virtual Screening 100%
• Drug Discovery 100%
• Novel Inhibitors 100%
• NS2B-NS3 100%
• Screening Drugs 100%
• Web Portal 100%
• West Nile Virus 50%
• Dengue Virus 50%
• Texas 33%
• Advanced Computing 33%
• Computer Centres 33%
• Dihydronaphthalenone 33%
• High-resolution 16%
• Small Molecules 16%
• Drug-like 16%
• Carcinogenicity 16%
• Inhibition Mechanism 16%
• Commercially Available 16%
• Mutagenicity 16%
• Protease 16%
• Pharmacophore 16%
• Small Molecule Inhibitors 16%
• Kinetic Study 16%
• Chemical Features 16%
• Side Chain 16%
• Small Molecule Libraries 16%
• Hydrogen Bonding Interaction 16%
• Screening Study 16%
• Crystalline Structure 16%
• Chemical Companies 16%
• Inhibition Constant 16%
• Experimental Validation 16%
• Chemical Compounds 16%
• Aqueous Solubility 16%
• World Community 16%
• Docking Score 16%
• Non-competitive Inhibition 16%
• Non-competitive Inhibitor 16%
• No-chemical 16%
• Community Grid 16%
• Structure-based Virtual Screening 16%

Pharmacology, Toxicology and Pharmaceutical Science

• Proteinase 100%
• Drug Discovery 100%
• Dengue Virus 100%
• Virtual Screening 100%
• West Nile Virus 42%
• Carcinogenicity 14%
• Mutagenicity 14%

Chemistry

• Virtual Screening 100%
• Drug Discovery 100%
• Crystal Structure 25%
• Hydrogen Bonding 25%
• Kinetic Study 25%
• Inhibition Constant 25%
• Molecular Library 25%