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)

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.

CADD (Computer Aided Drug Design)

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.

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- 1: Target Identification
- 2: Target Validation
- 3: Lead Identification
- 4: Lead Optimization 
- 5: Product Characterization
- 6: Formulation and Development

Steps in Drug Discovery and Development

Deore, A., Dhumane, J., Wagh, R., & Sonawane, R. (2019). The Stages of Drug Discovery and Development Process. Asian Journal of Pharmaceutical Research and Development, 7(6), 62-67. https://doi.org/https://doi.org/10.22270/ajprd.v7i6.616

The Stages of Drug Discovery and Development Process

The process of determining a chemical lead.

3: Lead Identification

The process of determining a drug target. The methods behind this process can draw from disciplines like biology, biochemistry, genetics, or biophysics.

1: Target Identification

The process of certifying a target of a small molecule. In other words, it is looking into the functional role of a target and seeing if a drug works in a clinical setting. 

2: Target Validation

The characterization of a new drug molecule after it shows potential. Properties of characterization are based on early stages of pharmacological studies. Characterization covers molecule size, shape, strength, weakness, use, toxicity, and biological activity. 

5: Product Characterization

The characterization of physicochemical properties of active pharmaceutical ingredients (APIs), with the purpose of producing an optimal drug dosage that is also bioavailable and stable. This also covers the path of intake.

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