Computer Aided Drug Design (CADD) has now become an indispensable tool in the long process of drug discovery and development. It includes finding, developing and analyzing medicines and related biological active compounds by computer methodologies. The reliability of the mathematical methods used to obtain and solve the equations is well known and so in most…
Once the structure of a lead has been decided it is necessary to design a synthetic pathway to produce that lead. These pathways may be broadly classified as either partial or full synthetic routes. The chemical reactions selected for the proposed synthetic pathway will obviously depend on the structure of the target compound. However, a…
Structure-Activity Relationship (SAR) is an approach to find the relationships between a chemical structure of a molecule and its biological activity. SARs are usually determined by making minor changes to the structure of a lead to produce analogues and assessing the effect these structural changes have on biological activity. This activity may be either similar…