Antitumor studies. Part 5: Synthesis, antitumor activity, and molecular docking study of 5-(monosubstituted amino)-2-deoxo-2-phenyl-5-deazaflavins.

abstract

• Various novel 5-(monosubstituted amino)-2-deoxo-2-phenyl-5-deazaflavins derivatives have been synthesized by direct coupling of 5-deazaflavins and N-alkyl or aryl amines. The antitumor activities against human tumor cell lines CCRF-HSB-2 and KB cells have been investigated in vitro and many compounds showed promising potential antitumor activities with less cytotoxicities. AutoDock molecular docking into PTK (PDB code: 1t46) has been done for lead optimization of these compounds as potential PTK inhibitors. Some of the synthesized 5-(monosubstituted amino)-2-deoxo-2-phenyl-5-deazaflavins at the 5-position exhibited reasonable binding affinities into PTK with the hydrogen bond through their C(5)-NH moiety.

authors

• Ali, Hamed

published proceedings

• Bioorg Med Chem

author list (cited authors)

• Shrestha, A. R., Ali, H. I., Ashida, N., & Nagamatsu, T.

citation count

• 10

complete list of authors

• Shrestha, Ajaya R||Ali, Hamed I||Ashida, Noriyuki||Nagamatsu, Tomohisa

publication date

• October 2008

publisher

• Elsevier  Publisher

published in

• Bioorganic and Medicinal Chemistry  Journal

keywords

• Amines
• Antineoplastic Agents
• Cell Line, Tumor
• Cell Proliferation
• Drug Design
• Drug Screening Assays, Antitumor
• Flavins
• Humans
• Models, Molecular
• Molecular Structure
• Oxygen
• Protein-Tyrosine Kinases
• Structure-Activity Relationship

PubMed Central ID

• 18819815

Digital Object Identifier (DOI)

• 10.1016/j.bmc.2008.09.022

start page

• 9161

end page

• 9170

volume

• 16

issue

• 20

URL

• http://dx.doi.org/10.1016/j.bmc.2008.09.022