Question

1) What is CADD? What does it aim?   

a) What are types of drug design, used by CADD? Discuss both briefly. Which one is more trusted, if there is such a comparison?

Answer 1

1) Computer-aided drug design uses computational approaches to discover, develop, and analyze drugs and similar biologically active molecules.

Aim - CADD helps scientists in minimizing the synthetic and biological testing efforts by focussing only on the most promising compounds. Besides explaining the molecular basis of therapeutic activity, it also predicts possible derivatives that would improve activity.

A) The two types of computeraided drug design (CADD) methods are i) structure-based drug design (SBDD) and ii) ligand-based drug design (LBDD) (Yu and MacKerell, 2017).

SBDD - The structure-based drug design approach (SBDD) is described, illustrating the way crystallographic information is utilized in an iterative manner to identify and optimize novel lead compounds, thereby accelerating the overall drug discovery process.

LBDD - ligand based drug design you select series of molecule which have shown good activity and run them in softwares like Sybyl 7.1, here you will get the mainly the groups such a hydrophobic,stearic and hydrophillic groups which are responsible for action. So in this case u will come to know which group provides activity and which reduces the activity.

LBDD approaches are powerful methods based on only small-molecule information using a series of known active and inactive compounds, whereas SBDD approaches incorporate information from the target receptor