在增强型开放nci数据库浏览器中传递色素的生物活性谱预测

V. Banewar
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引用次数: 1

摘要

含染色质核药物在药物化学中具有重要意义。色素及其取代化合物具有多种药理活性,可作为HIV - 1蛋白酶抑制剂。生物活性谱的概念是开发PASS(物质活性谱预测)软件产品的基础。利用基于计算机的程序PASS可以根据化合物的结构式预测780多种药理作用,从而对分子的一般生物学潜力进行评价。PASS研究结果表明,取代和未取代的染色体显示出许多重要的生物活性。PASS还可以预测一些不需要的Chromone活动,为药物化学家提供提高项目效率的手段。
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Pass biological activity spectrum predictions of chromones in the enhanced open nci database browser
Chromone nucleus containing drugs have its own importance in drug chemistry. Chromones and its substituted compounds possess various pharmacological activities and acts as HIV 1 Protease inhibitors. The concept of Biological Activity Spectrum served as a basis for developing PASS (Prediction of Activity Spectra for Substances) software products. Evaluation of the general biological potential of molecule is possible using computer based program PASS that predicts more than 780 pharmacological effects on the basis of structural formula of compounds. The result of PASS studies shows that substituted and unsubstituted Chromone show many important biological activities. PASS also predicts some unwanted activities of Chromone, providing medicinal chemists with the means to increase the efficiency of projects.
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