Pharmaceutical Sciences

Molecular Drug Designing

Drug design, frequently alluded to as rational drug design or simply rational design, is the creative procedure of finding new drugs dependent on the knowledge of a biological target. The drug is most normally an organic small molecule that initiates or represses the capacity of a biomolecule, for example, a protein, which thusly results in a remedial advantage to the patient. In the most essential sense drug design includes the design of molecules that are complementary in shape and charge to the biomolecular target with which they interact and therefore will bind to it.

Molecular modelling is a collection of (Computer based) systems dependent on hypothetical science strategies and experimental data to predict molecular and biological properties, for manipulating the structures and reactions of molecules, and those properties that are dependent on these three dimensional structures.

Molecular modelling has turned into an important and fundamental tool to therapeutic scientific experts in the drug design process. Molecular modelling depicts the generation, manipulation or representation of three-dimensional structures of molecules and associated physico-chemical properties.