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Janus激酶3抑制剂2,4-二取代嘧啶衍生物的药效团建模和3D-QSAR研究

IF 2.4 Q3 Computer Science
Journal of Theoretical & Computational Chemistry Pub Date : 2020-02-28 DOI:10.1142/s0219633620500017
N. Agrawal
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引用次数: 0

摘要

开发了一个强大的药效团模型，并使用71种嘧啶衍生物分析了结构-活性关系，这些嘧啶衍生物被报道用于共价Janus激酶3（JAK3）抑制。药效团。。。
本文章由计算机程序翻译，如有差异，请以英文原文为准。
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Pharmacophore modeling and 3D-QSAR studies of 2,4-disubstituted pyrimidine derivatives as Janus kinase 3 inhibitors
A robust pharmacophore model was developed and the structure-activity relationship was analyzed using 71 pyrimidine derivatives reported for covalent Janus Kinase 3 (JAK3) inhibition. Pharmacophore...
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来源期刊
Journal of Theoretical & Computational Chemistry
Journal of Theoretical & Computational Chemistry 化学-化学综合
CiteScore
1.70
自引率
0.00%
发文量
0
审稿时长
3 months
期刊介绍： The Journal of Theoretical and Computational Chemistry (JTCC) is an international interdisciplinary journal aimed at providing comprehensive coverage on the latest developments and applications of research in the ever-expanding field of theoretical and computational chemistry. JTCC publishes regular articles and reviews on new methodology, software, web server and database developments. The applications of existing theoretical and computational methods which produce significant new insights into important problems are also welcomed. Papers reporting joint computational and experimental investigations are encouraged. The journal will not consider manuscripts reporting straightforward calculations of the properties of molecules with existing software packages without addressing a significant scientific problem. Areas covered by the journal include molecular dynamics, computer-aided molecular design, modeling effects of mutation on stability and dynamics of macromolecules, quantum mechanics, statistical mechanics and other related topics.
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