Abstract Structure-based drug design (SBDD) and ligand-based drug design (LBDD) are the
two basic approaches of computer-aided drug design (CADD) used in modern drug …

Computer-aided drug design (CADD) depends on the extent of structure and other
information available regarding the target (enzyme/receptor/protein) and the ligands. The …

The scientists, and the researchers around the globe generate tremendous amount of
information everyday; for instance, so far more than 74 million molecules are registered in …

Discovery and development of new drug is generally known as a very complex process
which is a time consuming process. So, computer aidded drug design approaches are used …

There is ample growth potential in the current biologics era. There are more than 1,600
biologics under evaluation where over 250 approved drugs and many more drugs are in the …

Traditionally, the process of drug development has revolved around a screening approach
and trial-and-error method, as no body knew which compound or approach could serve as a …

In this chapter, a brief introduction to ligand-based methodologies employed for designing of
drug has been described. Generally, ligand-based approach for drug designing (LB-CADD) …

Drug discovery is an exhaustive and time-consuming process involving numerous stages
like target identification, validation, lead optimization, preclinical trials, clinical trials and …

Computational methods play a central role in modern drug discovery process. It includes the
design and management of small molecule libraries, initial hit identification through virtual …

In recent years, one of the promising approaches in the QSAR modeling Monte Carlo
optimization approach as conformation independent method, has emerged. Monte Carlo …