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

Drug Designing with the Aid of Computers - Essay ExampleDrug Designing is an exceptional Example of a battlefield that has been benefited immensely by the use of computers. molecular(a) imaging has made great revolutions in the designing of drugs. DRUG DESIGNING Drug Designing can 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 determine The target to be attacked is identified The Lead Compound is identified. Tests are 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 known to have possessed exemplary technologies that conduct the drug development process speedily. Computer Based Drug Designing Methodolo gies are preferred over Traditional Drug Designing capabilities becauseTRADITIONAL DRUG DESIGNING is stochastic trial and erroneous Time consuming,Comparatively much more expensiveVery low in output (1 in 100,000) (Huang, n.d.)In Comparison to the to a higher place mentioned properties of traditional drug design Computer Aided Drug Design Methodologies are thought to beStructural in NatureSpecifically Targeted freeMuch Faster than the Traditional MethodsMuch lower in costHaving a comparatively much higher success rate than the traditional method.molecular(a) modeling is a popular method of drug design. It is a science by means of which molecular social organizations are represented numerically. Their behavior is then copy by making use of the equations from quantum and classical physics. It is with the use of this molecular modeling via computers that computer aided drug designing finally gets executed. The first step in the approach towards drug design by this methodology is the identification of a molecule that may be critical to the pathogen of any specific disease. The molecular coordinate 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 used to construct a ligand. The recognition of the target protein is the next step followed by the ways by which it would be bound. The point of tending 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 attribute 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 vaunt an entire list of the proposed molecules. Molecular Modelling 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 reckon is often used to assist. For example, at the