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ADMET——第五届年度SMi会议。

ADMET--Fifth Annual SMi Conference.

作者信息

Comer John E

机构信息

Sirius Analytical Instruments, Riverside, Unit 12 Forest Row Business Park, Forest Row, East Sussex, UK.

出版信息

IDrugs. 2010 Sep;13(9):610-4.

Abstract

SMi's fifth annual ADMET Conference, held in London, included topics covering new developments in the field of ADMET. This conference report highlights selected presentations on ADME optimization in drug discovery; targeting drugs to the brain; predicting bonds that might be attacked during metabolism; treating Caco-2 membranes with vinblastine to enhance P-glycoprotein interactions; predictive ADMET in hit-to-lead optimization; structure-based studies of ADMET targets; an accelerated process for integrated drug development; building hypotheses in lead selection and optimization; supersaturation effects; the prediction of drug-drug interactions; developing a mechanism-based pharmacokinetic/pharmacodynamic model; drug transporter assays in drug discovery; time-dependent inhibition screens in early drug discovery; the system-dependent inhibition of CYP enzymes; the integrating predictive toxicology framework OpenTox; high-content analysis for predictive cytotoxicity testing; and emerging in vitro toxicity assays.

摘要

SMi在伦敦举办的第五届年度药物吸收、分布、代谢、排泄及毒性(ADMET)会议涵盖了ADMET领域的新进展等主题。本会议报告重点介绍了药物发现中ADME优化方面的部分演讲内容;药物靶向大脑;预测代谢过程中可能被攻击的化学键;用长春碱处理Caco-2细胞膜以增强P-糖蛋白相互作用;从活性化合物到先导化合物优化过程中的预测性ADMET;基于结构的ADMET靶点研究;综合药物开发的加速流程;先导化合物选择与优化中的假设构建;过饱和效应;药物相互作用预测;建立基于机制的药代动力学/药效学模型;药物发现中的药物转运体检测;早期药物发现中的时间依赖性抑制筛选;CYP酶的系统依赖性抑制;整合预测毒理学框架OpenTox;用于预测细胞毒性测试的高内涵分析;以及新兴的体外毒性检测方法。

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