IN SILICO SCREENING WITH CHEMICAL INFORMATICS

首页> 外文期刊>Nature >IN SILICO SCREENING WITH CHEMICAL INFORMATICS

【24h】

IN SILICO SCREENING WITH CHEMICAL INFORMATICS

机译：使用化学信息进行硅胶筛查

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

Imagine evaluating the efficacy and safety of new drugs without having to lift a pipette. Advances in in silico drug development are beginning to make this possible. The SYBYL range of computational chemistry software from Tripos of St Louis, Missouri, will design compound libraries, select the best binding partners and screen potential drug molecules for safety and efficacy on the basis of known protein target and/or ligand structures — all in silico. A new advanced protein-modelling module predicts the structure of proteins of unknown structure using related proteins of known structure as the models.

机译：想象一下无需举起移液管就可以评估新药的功效和安全性。计算机药物开发方面的进展开始使这成为可能。来自密苏里州圣路易斯Tripos的SYBYL计算化学软件系列将设计化合物库，选择最佳结合伙伴，并根据已知的蛋白质靶标和/或配体结构筛选潜在的药物分子，以确保安全性和有效性-全部在计算机上。一个新的高级蛋白质建模模块使用已知结构的相关蛋白质作为模型来预测未知结构的蛋白质的结构。

著录项

来源
《Nature》 |2007年第7132期|p.221|共1页
作者

展开▼
作者单位

展开▼
收录信息美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
原文格式 PDF
正文语种 eng
中图分类自然科学总论;
关键词

相似文献

外文文献
中文文献
专利

1. In silico exploration of c-KIT inhibitors by pharmaco-informatics methodology: pharmacophore modeling, 3D QSAR, docking studies, and virtual screening [J] . Chaudhari Prashant, Bari Sanjay Molecular diversity . 2016,第1期

机译：通过药物信息学方法对c-KIT抑制剂进行计算机分析：药效团建模，3D QSAR，对接研究和虚拟筛选
2. Role of ADME Characteristics in Drug Discovery and Their In Silico Evaluation: In Silico Screening of Chemicals for their Metabolic Stability [J] . Vijay K. Gombar Ivin S. Silver Zhiyang Zhao Current Topics in Medicinal Chemistry . 2003,第11期

机译：ADME特性在药物发现中的作用及其计算机评价：对其化学物质的代谢稳定性进行计算机筛选
3. Identifying further chemicals of emerging arctic concern based on ‘in silico’ screening of chemical inventories [J] . Derek Muir, Xianming Zhang, Cynthia A. de Wit, Emerging Contaminants . 2019,第1期

机译：根据“ in silico”对化学库存的筛选，识别出北极新出现的其他化学物质
4. In Silico Toxicology Screening of the Rodent Carcino-genic Potential of Phytochemicals Using Quantitative Structure-Activity Relationship Analysis [C] . Luis G. Valerie Jr., Naomi L. Kruhlak, R. Daniel Benz Symposium on Risk Assessment of Phytochemicals in Food: Novel Approaches . 2010

机译：在硅毒理学筛选植物癌的植物癌潜力使用定量结构 - 活性关系分析
5. In silico odre?ivanje fizi?ko-Hemijskih, Farmakokinetskih i toksikolo?kih Parametara i in vitro Ispitivanje Antiproliferativne Aktivnosti Novosintetisanih Derivata N-Sukcinimida =In silico Physico-Chemical, Pharmacokinetic and Toxicologic Parameters Deter [D] . ?ur?i?, Jelena. 2020

机译：在硅测定的物理，药代动力学和毒性和毒性，对新的抗增殖活性的体外检查新 - 不是产品N-sukcinimides =在硅基物质化学，药代动力学和毒理学参数中达到
6. In Silico Screening-Level Prioritization of 8468 Chemicals Produced in OECD Countries to Identify Potential Planetary Boundary Threats [O] . Efstathios Reppas-Chrysovitsinos, Anna Sobek, Matthew MacLeod -1

机译：在计算机筛查中对经合组织国家生产的8468种化学物质进行优先级排序以识别潜在的行星边界威胁
7. In silico screening with chemical informatics [O] . 2007

机译：在硅筛分中用化学信息学

IN SILICO SCREENING WITH CHEMICAL INFORMATICS

摘要

著录项

相似文献

相关主题

期刊订阅