Mỗi dự án nghiên cứu và phát triển dược phẩm là nhằm mục đích khám phá ra loại thuốc mới để điều trị một số bệnh. Cuộc điều tra của dược phẩm mới được thực hiện một cách từng bước. Điều này là bởi vì ma túy phát hiện là một quá trình tốn nhiều thời gian liên quan đến tài nguyên và nhân lực tài chính khổng lồ, và với một yếu tố nguy cơ cao đáng kể. | 13 PASS Prediction of Biological Activity Spectra for Substances VLADIMIR POROIKOV and DMITRI FILIMONOV Institute of Biomedical Chemistry of Russian Academy of Medical Sciences Moscow Russia 1. INTRODUCTION Each pharmaceutical research and development project is aimed at discovering new drugs for the treatment of certain diseases. The investigation of new pharmaceuticals is carried out in a stepwise manner. This is because drug discovery is a time-consuming process involving enormous financial resources and manpower and with a substantially high risk factor. On average it requires 12 years and approximately 800 million for introducing a new medicine to the market 1 with a high risk of negative results 1 out of 10 000 459 2005 by Taylor Francis Group LLC 460 Poroikov and Filimonov substances studied is developed to a safe and potent drug . Drug research starts with identification of a lead molecule with required biological activity. Subsequently the lead molecule is developed to get more potent compounds with appropriate pharmacodynamic and pharmacokinetic properties that can qualify as drug candidates 2 . General biological potential of any molecule under study is also evaluated in stages. The emphasis is first laid on testing for specific activity followed by general pharmacology and toxicology study clinical trials postmarketing registration of adverse effects etc. As a result adverse toxic actions are often discovered at a stage when a lot of time and money are already expended 3 . At the same time it is practically impossible to test experimentally all compounds against each known kind of biological activity and possible toxic effects. So a computer-aided prediction is the method of choice at the early stage of drug research. Relying on predicted results one may establish the priorities for testing a particular compound and the basis for selecting the most prospective hits leads candidates from the set of compounds available for screening. Application of .
