Drug design that depends on the information of the biological target's 3D structure.

Calvin College

The iterative process of designing and refining a drug candidate after identifying a chemical lead. The purpose is to keep favorable properties in lead compounds while filtering out or improving upon unfavorable ones.

4: Drug Design (Lead Optimization)

PharmaEducation

The following are evaluated properties when optimizing a lead in drug design:

- Binding mechanisms
- Pharmacodynamic (interaction with lead target)
- Pharmacokinetic (ability to reach and bind to target)
- Potency 
- Safety
- Selectivity (particular population vs. another)
- Specificity (action in population)
- Stability
- Toxicological


Drug Design Properties

Direct Drug Design (Structure-Based)

Drug design based on the ligand information instead of the biological target itself. Ligand here refers to other molecules that bind to the target.

Indirect Drug Design (Ligand-Based)

CADD represents the computational models, methods, resources, and softwares available to aid the drug design and development process.

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