药效团
生物信息学
胶质母细胞瘤
虚拟筛选
计算生物学
计算机科学
化学
医学
生物
立体化学
基因
生物化学
癌症研究
作者
Vishnu Vasanthi Radhakrishnan,Sonu Benny,T P Aneesh
出处
期刊:Future Medicinal Chemistry
[Newlands Press Ltd]
日期:2022-08-01
卷期号:14 (16): 1203-1218
被引量:2
标识
DOI:10.4155/fmc-2022-0100
摘要
Aim: This study uses network pharmacology to design a c-Src inhibitor followed by pharmacophore modeling to combat glioblastoma multiforme. These in silico approaches are suitable for designing and developing new molecules of interest. Materials & methods: The authors performed virtual screening, pharmacophore analysis and validation of results using various in silico tools and reliable data from different types of literature and databases. Results: The in silico pipeline the authors followed produced reliable chemical information to combat glioblastoma. The authors identified a chemical template against the c-Src protein, which was validated statistically and computationally. Conclusion: The authors have successfully identified a chemical template against c-Src, which will be developed into a promising inhibitor in future studies.
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