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1.
Curr Top Med Chem ; 4(4): 461-71, 2004.
Article in English | MEDLINE | ID: mdl-14965312

ABSTRACT

Improvements in therapy are aimed at better diagnosis and more effective treatment. The use of computer simulation has the potential to improve therapy in both ways. Computational methods have been used extensively in diagnosis, for interpreting MRI results, CAT scans and the development of treatments in the study of biochemical structure. The present review examines how simulation may be used to play a more fundamental role in therapeutic treatment often referred to as In Silico Biology. Simulation of cells, organs and systems, such as pulmonary and cardiovascular, can be used in clinical practice to improve diagnosis. Initially these developments will probably have to be refined before being used in general practice. However, when these simulations are linked with artificial intelligence techniques containing experimental databases then very powerful tools will result. The use of simulation in the design and development of new drugs can both be cost and time effective. Again, artificial intelligence techniques are likely to play an important role in evaluating patient risk factors and unwanted side effects.


Subject(s)
Antihypertensive Agents/therapeutic use , Computer Simulation , Drug Design , Hypertension/drug therapy , Models, Cardiovascular , Antihypertensive Agents/chemistry , Humans , Hypertension/diagnosis , Hypertension/physiopathology
2.
Phys Med Biol ; 46(6): N139-47, 2001 Jun.
Article in English | MEDLINE | ID: mdl-11419633

ABSTRACT

The overall aim of this work is to develop computer simulations to aid in the selection of proposed medicines and identify those most likely to succeed. One important feature is a systems approach to simulate both the target area with which the drug is designed to interact as well as the surrounding areas where feedback mechanisms may alter the expected effect. The simulation must be rapid if it is to be used to evaluate large numbers of potential drugs. Thus the procedure simplifies many of the known complex phenomena to provide a general framework and feedback mechanisms. An example of the use of the simulation to study a drug used to treat hypertension is given. A possible use of the technique is shown using the example of the effect of varying the drug dosage on the contraction of the arteriole muscle.


Subject(s)
Computer Simulation , Drug Evaluation/methods , Amlodipine/pharmacology , Antihypertensive Agents/pharmacology , Arterioles/drug effects , Calcium Channels/metabolism , Dose-Response Relationship, Drug , Humans , Hypertension/drug therapy , Ions , Models, Theoretical , Muscle Contraction/drug effects , Sodium/metabolism , Software
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