Molecular Docking and Biological Evaluation of Functionalized benzo[h]quinolines as Colon Cancer Agents

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• 作者：Ramendra Pratap (20)
  Dharmendra Kumar-Yadav (20)
  Surjeet Singh (20)
  Reeta Rai (21)
  Naresh Kumar (22)
  Han-Sup Uhm (22)
  Harpreet Singh (23)
  Horacio P茅rez-S谩nchez (24)
  
  20. Department of Chemistry ; University of Delhi ; North Campus ; Delhi ; 110007 ; India
  21. Department of Biochemistry ; All India Institute of Medical sciences ; New Delhi ; 110029 ; India
  22. Plasma Bioscience Research Center ; Kwangwoon University ; Nowon-Gu ; Seoul ; 139-701 ; Korea
  23. Department of Bioinformatics ; Indian Council of Medical Research ; New Delhi ; 110029 ; India
  24. Computer Science Department ; Catholic University of Murcia (UCAM) ; E30107 ; Murcia ; Spain
  
• 关键词：ADME/T ; Benzo[h]quinoline ; Colon cancer ; Docking
• 刊名：Lecture Notes in Computer Science
• 出版年：2015
• 出版时间：2015
• 年：2015
• 卷：9044
• 期：1
• 页码：664-673
• 全文大小：823 KB
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• 作者单位：Bioinformatics and Biomedical Engineering
• 丛书名：978-3-319-16479-3
• 刊物类别：Computer Science
• 刊物主题：Artificial Intelligence and Robotics
  Computer Communication Networks
  Software Engineering
  Data Encryption
  Database Management
  Computation by Abstract Devices
  Algorithm Analysis and Problem Complexity
  
• 出版者：Springer Berlin / Heidelberg
• ISSN：1611-3349

文摘

As a part of our drug discovery program, we have synthesized various 2-amino-benzo[h]quinoline-6-carbonitrile derivatives and analyzed them on human colon cancer cells in the form of percentage inhibition at different concentration gradient and time of incubation. Anticancer activity of these derivatives against the human HCT116 cancer cells using in vitro employing standard MTT assay. Compounds 3a-3e showed significant anti-cancer activity especially compound 3b and3d exhibit the good inhibitory activity on HCT116 cells. Additionally, docking study was performed on colon cancer target cyclin-dependent kinase-2 to understand the cytotoxic mechanism of action of active compounds.