Professional rational drug and biological product design methods based on chemoinformatics as a novel science

Abstract

Background: The use of new technologies in the field of drug discovery and development plays an important role in introducing new and effective drugs, optimizing the properties of existing drugs and, in general the development of various drug-dependent industries, as well as the general health of human, animal and plant communities. These methods provide new drugs at a lower cost, ease of production, and negligible side effects, and in some cases curing sever illnesses. Methods: Chemoinformatics involves rational designing, creating, organizing, managing, retrieving, analyzing, disseminating information, visualization, and the use of chemical information. This science has succeeded not only in the discovery and development of chemical drugs, but also in the development of biological products (vaccines, antibodies, etc.). The four well-developed methods used in the chemoinformatic design are; High throughput virtual screening base on molecular docking, Quantitative structure-activity relationship (QSAR), pharmacophore search and De Novo design or Fragment-based design. Results and Conclusion: In the present paper, we are trying to clarify the new parts of the design and engineering of medicine with the help of bioinformatics science for its use for Iranian researchers in the field of research and production.

Keywords

• biological product
• chemoinformatics
• pharmaceuticals
• rational design
• small molecules