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

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

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

Direct Drug Design (Structure-Based)

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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