Synthesis and antitumor evaluation of novel diarylsulfonylurea derivatives: Molecular modeling applications

Magda A. El-Sherbeny, Alaa A.M. Abdel-Aziz, Musa A. Ahmed

Research output: Contribution to journalJournal articlepeer-review

19 Scopus citations


Some new ethyl 2-[3-(4-unsubstituted or 4-substituted phenylsufonyl)ureido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylates 3a-c, 2-[3-(phenylsulfonyl)ureido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbohydrazides 4a-f, 3-phenylsulfonyl-6,7,8,9-tetrahydro-5H-cyclohepta[1′,2′:4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)dione 5 and 3-(phenylsulfonyl)-1-[3-(alkylaminocarbonyl or substituted piperazinylcarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]ureas 6a-d have been synthesized and tested for their antitumor activity. Among these compounds, 4a, 4c and 4d exhibited a broad spectrum antitumor activity with full panel (MG-MID) median growth inhibition (GI50) of 3.5, 4.9 and 4.0 μM respectively. In addition, compounds 4c, 4d, 6c and 6d proved to be of moderate selectivity toward colon cancer cell lines with ratios of 3.1, 1.2, 3.6 and 3.0 respectively. Molecular modeling and pharmacophore prediction methods are used to study the antitumor activity of the most active compounds compared with the least active species by means of the molecular mechanic method.

Original languageEnglish
Pages (from-to)689-697
Number of pages9
JournalEuropean Journal of Medicinal Chemistry
Issue number2
StatePublished - Feb 2010
Externally publishedYes


  • Antitumor
  • Arylsulfonylurea
  • Molecular modeling
  • Synthesis


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