Drug Designing with the Aid of Computers Essay Example | Topics and Well Written Essays - 2250 words

do drugs Designing with the Aid of Computers - Essay casefulDrug Designing is an exceptional Example of a field that has been benefited immensely by the use of computers. molecular(a) imaging has made great revolutions in the calculative of do drugss. DRUG DESIGNING Drug Designing tin be termed as a method whereby drugs can be invented by targeting a specific biological molecule and then designing new medications based on the relevant information. If narrated simply, the designing of a drug may involve the following generic processes The cause of the disease to be identified The target to be attacked is identified The Lead Compound is identified. Tests atomic number 18 carried out for the Lead Compound Trial conducted in clinics Drug approved Present day drug design extensively relies on computer based molecular modeling techniques. Computer Drug Design has been k nowadaysn to have possessed exemplary technologies that conduct the drug development process speedily. Computer Ba sed Drug Designing Methodologies are preferred over handed-down Drug Designing capabilities becauseTRADITIONAL DRUG DESIGNING isRandom trial and erroneous Time consuming,comparatively much more expensiveVery low in output (1 in 100,000) (Huang, n.d.)In parity to the above mentioned properties of tralatitious drug design Computer Aided Drug Design Methodologies are vox populi to beStructural in NatureSpecifically TargetedAutomatic much Faster than the Traditional MethodsMuch lower in costHaving a comparatively much higher success rate than the traditional method.Molecular modeling is a popular method of drug design. It is a science by center of which molecular structures are represented numerically. Their behavior is then simulated by making use of the equations from quantum and unmingled physics. It is with the use of this molecular modeling via computers that computer aided drug designing finally gets executed. The first misuse in the approach towards drug design by this met hodology is the identification of a molecule that may be critical to the pathogen of any specific disease. The molecular structure of the target molecule that has been identified is now resolute. Sufficient molecular information is essential in order to proceed further on with the designing of the drug. The structure of the target molecule, as discussed above, is employ to construct a ligand. The recognition of the target protein is the next tincture followed by the ways by which it would be bound. The point of concern here is that the structure of proteins is very versatile in nature. Proteins change the structure of their molecule when they are undergoing different functions. Types of Molecular Modeling Based on the type of information at hand, either ligand based or molecular based design methods are selected. (Daharwal, 2006). The proposed combinations are very rapidly generated by computers that instantly display an entire list of the proposed molecules. Molecular role mode l screens through large databases of chemical ligands and molecules of compounds. In doing so, it identifies the molecules that may become potential drugs. The above process is termed as Molecular Docking. SIMULATIONS FOR DRUG DESIGNING Since protein structures are rapidly changing and cannot be predicted computers are essentially used to simulate the dynamically changing structure of molecules. Hihg performance computing is often used to assist. For example, at the