Structure based drug design
Learn the principles of Structure based drug design
Drug design is nothing but the process of trying to discover new drugs based on their design and what the drug needs to achieve. Each drug must be designed and constructed depending on several factors like the type of disease, infection or the disease causing microbial pathogen.
Structure based drug design otherwise called rational drug design does not entail any trial and error method but instead requires knowledge about the three dimensional structure of the bio molecules (protein) involved and chemical responses of the body of the affected organism when the drug is given. Using this knowledge the suitable drug is designed in structure based drug design.
The three dimensional structure of the bio molecules (protein) are obtained from advanced methods like X-ray spectroscopy and NMRS (nuclear magnetic resonance spectroscopy).
Once these structures are obtained, researchers use state of the art computer software to filter out all chemical compounds that will most likely link with obtained structures. The software searches through huge databases of various chemical compounds. After this the results returned from the computer are tested once again in the laboratory.
Sometimes various software products are used, which search through different databases. The idea behind this technique is to reduce the number of compounds that need to be tested practically in the lab. This helps in saving time as well as raw material in the lab.
Relenza is one of the first drugs that has been created using structure based drug design and was discovered as a cure for influenza. Even some of the drugs that fight HIV infections have been constructed using this design, examples are ritonovir and indinavir.
Various tests are being conducted by professionals to test and determine the drug likeness of a drug. That is, to test its various properties and effects on the human body and mind. These are tested primarily through simulations.
Structure based drug design is still being used for the design of drugs. It is a fast process that involves computer aided design. The design is slowly replacing the older techniques of drug design due to its numerous advantages.
