20th World Conference on Pharmaceutical Chemistry and Drug Design

Drug design is an inventive process of medication discovered by biological target. It is also known as rational drug design or rational design. The drug is most commonly an organic small molecule that activates or inhibits the function of a biomolecule such as a protein, which in turn results in a therapeutic benefit to the patient. In the most basic sense. Drug design relies on the knowledge of the three-dimensional structure of bioactive sites. The drug is an active molecule, when it is predicament to target site it can either inhibit or activate the function of a biomolecule which effects in therapeutic benefit.

The main objective in drug design is to foresee whether a given particle will bind to a target and if so how unequivocally. Molecular mechanics or molecular dynamics are regularly used to predict the conformation of the little particle and to model conformational changes in the biological targets that may happen when the little molecules ties to it.  

The use of computers for the processing of chemical informa¬tion had its origins in various scientific and computer-related disciplines, as well as some pioneering academic work, such as that at the University of Sheffield, UK, in the late 1960s on the representation and use of chemical structure information. For many years, the field of chemical-information handling had a well-defined and important part to play in library and information systems, where the techniques were used for the storage and searching of chemical and patent databases. In addition, compu¬tational chemistry methods were applied to aid understanding of theoretical chemistry and pharmaceutical drug discovery where a variety of techniques, such as similarity searching and docking, helped scientists’ find potentially active molecules and model how those molecules bind to protein targets in the body. This latter application, known as computer-aided drug design or molecular modeling, rapidly became an essential part of modern drug dis¬covery, and thus the pharmaceutical industry became a strong supporter of the field. In particular, the race to develop antiretro¬viral drugs for AIDS resulted in a strong push to use computational techniques to speed up the discovery of new drugs, and the existence of several marketed drugs, such as Viracept  (Pfizer), can be traced directly to the application of computer-aided drug design. It is important to recognize that despite its strong support from the pharmaceutical industry, the field, unlike other life-science-related computer disciplines, also has strong support and application outside the life sciences arena.