Define computer aided drug design
Computer-aided drug design is a widely used technology using computational analysis
and resources for the storage, management, analysis, and modeling of compounds.
Enumerate three advantages of employing CADD in drug discovery
The three advantages of employing CADD in drug discovery are it is fast, efficient, and
cost saving.
A cost-effective, timesaving, fast and automated process, It gives an idea about the
drug-receptor interaction pattern, and it minimizes synthetic and biological testing
efforts.
What are the two types of drug design employed in CADD? Define and
differentiate the two.
NOTE: Points of differentiation should be seen. Cite some examples
The two types of drug design employed in CADD are Ligand-based drug (LBDD) and
Structure based design drug (SBDD). Ligand-based drug design also known as indirect
drug design is an approach used in the absence of receptor 3D information and relies
on knowledge of molecules that bind to the biological target of interest. 3D quantitative
structure activity relationships (3D QSAR) and pharmacophore modeling are the most
important and widely used tools in ligand-based drug design, while Structure-based
drug design also known as direct drug design is the process that includes virtual
screening and de novo drug design. These methods are a highly efficient and
alternative approach to the discovery and development of the drug design course. The
difference between the two is that In LBDD, the chemical entities of single ligand is used
to screen hit compounds and/or screened against various protein targets of interest.
