Synthesis, antitumor and antimicrobial activity of some new 6-methyl-3-phenyl-4(3H)-quinazolinone analogues: in silico studies

Amer M. Alanazi, Alaa A.M. Abdel-Aziz, Taghreed Z. Shawer, Rezk R. Ayyad, Abdulrahman M. Al-Obaid, Mohamed H.M. Al-Agamy, Azza R. Maarouf, Adel S. El-Azab

Research output: Contribution to journalJournal articlepeer-review

30 Scopus citations

Abstract

Some new derivatives of substituted-4(3H)-quinazolinones were synthesized and evaluated for their in vitro antitumor and antimicrobial activities. The results of this study demonstrated that compound 5 yielded selective activities toward NSC Lung Cancer EKVX cell line, Colon Cancer HCT-15 cell line and Breast Cancer MDA-MB-231/ATCC cell line, while NSC Lung Cancer EKVX cell line and CNS Cancer SF-295 cell line were sensitive to compound 8. Additionally, compounds 12 and 13 showed moderate effectiveness toward numerous cell lines belonging to different tumor subpanels. On the other hand, the results of antimicrobial screening revealed that compounds 1, 9 and 14 are the most active against Staphylococcus aureus ATCC 29213 with minimum inhibitory concentration (MIC) of 16, 32 and 32 μg/mL respectively, while compound 14 possessed antimicrobial activities against all tested strains with the lowest MIC compared with other tested compounds. In silico study, ADME-Tox prediction and molecular docking methodology were used to study the antitumor activity and to identify the structural features required for antitumor activity.

Original languageEnglish
Pages (from-to)721-735
Number of pages15
JournalJournal of Enzyme Inhibition and Medicinal Chemistry
Volume31
Issue number5
DOIs
StatePublished - 2 Sep 2016
Externally publishedYes

Keywords

  • Antimicrobial
  • in silico study
  • in vitro antitumor
  • molecular docking
  • quinazolinones

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