IspE inhibitors identified by a combination of in silico and in vitro high-throughput screening

Pharmacology, Toxicology and Pharmaceutical Science

• Binding Site 100%
• Structure Activity Relationship 100%
• High-Throughput Screening 100%
• Drug Discovery 50%
• Antiinfective Agent 50%
• Weakness 50%
• Phosphotransferase 50%
• Drug Development 50%
• Virtual Screening 50%
• Mevalonic Acid 50%
• Isoprenoid 50%
• Apicomplexa 50%
• Cytidine Diphosphate 50%
• Xylulose 50%
• Antimicrobial Agent 50%

Keyphrases

• High-throughput Screening 100%
• In Silico 100%
• IspE 100%
• Structure-activity Relationship 50%
• Drug Discovery 25%
• Physicochemical Properties 25%
• Phosphate 25%
• Binding Mode 25%
• Virtual Screening 25%
• Antimicrobial Drug Development 25%
• Screening Method 25%
• Hit Compound 25%
• Promising Target 25%
• Ligand Efficiency 25%
• Apicomplexan Parasites 25%
• Genetic Method 25%
• Isoprenoid Compounds 25%
• Substrate Binding Site 25%
• Xylose 25%
• Cofactor-binding Site 25%
• In Silico Screening 25%
• Non-mevalonate 25%
• Biochemical Screen 25%
• Non-substrate 25%

Biochemistry, Genetics and Molecular Biology

• Binding Site 100%
• High Throughput Screening 100%
• Screening 100%
• Structure Activity Relation 100%
• Precursor 50%
• Genetics 50%
• Phosphotransferase 50%
• Kinase 50%
• Anabolism 50%
• Apicomplexa 50%
• Cytidine Diphosphate 50%
• Cofactor 50%
• Xylulose 50%