Introduction
Computer-Aided Molecular Design is becoming an essential component
of drug discovery in every pharmaceutical industry. Virtual ligand
screening methods accelerate the process by speeding up the discovery
of new chemical entities that may become new drugs.
- Development of virtual screening program
- Development of score function for protein-ligand interaction
- Lead Generation and Optimization
- Antidiabate
- Antiinflamation
- Anticancer
- Antibacterial
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Related Project
| # |
Project |
|
Researcher |
Contents |
| 1 |
New Frontier |
Krict, IDR, SKKU, SNU |
Kyop Nam, etc |
Investigation new drug target |
| 2 |
Korea@Home |
KISTI, KIST |
Kyop Nam, Yongkee Cho |
Virtual HTS using internet based distributed computing |
Researching Approaches
| LBDD Strategy |
Receptor unknown |
| Ligand unknown |
Combinatorial chemistry
3D structure generation |
| Ligand known |
Pharmacophore Development
Database searching
QSAR |
| SBDD Strategy |
Receptor known |
| Ligand unknown |
De Novo design
Receptor-based 3D searching |
| Ligand known |
Structure-based drug design
Docking
Receptor-ligand |
|