Design, syntheses and biological evaluations of nonpeptidic caspase 3 inhibitors

Eun sook Kim, Sung eun Yoo, Kyu Yang Yi, Sunkyung Lee, Jae sung Noh, Yong Sam Jung, Eunhee Kim, Nakcheol Jeong

Research output: Contribution to journalArticlepeer-review

12 Citations (Scopus)


Caspase 3, a member of cysteine protease family, is well known as a major apoptosis effector and is involved in cell death as a result of ischemic diseases such as stroke and myocardial infarction, therefore the inhibition of caspase 3 may protect those apoptotic cell damages. During the high-throughput screening of the compounds from the Korea Chemical Bank, berberine derivatives (A and B), an isoquinoline alkaloid, have been identified as potential inhibitors for caspase 3. Based on this finding we carried out molecular modeling study to identify the pharmacophoric elements of berberine structure which interact with a substrate-recognition binding site of caspase 3 and came up with several novel scaffolds. In this report, we will discuss the molecular modeling, syntheses and the enzyme inhibitory activities of these novel compounds.

Original languageEnglish
Pages (from-to)1003-1010
Number of pages8
JournalBulletin of the Korean Chemical Society
Issue number7
Publication statusPublished - 2002 Jul 20


  • Apoptosis
  • Caspase 3
  • Isoquinoline derivatives
  • Nonpeptidic inhibitor

ASJC Scopus subject areas

  • Chemistry(all)


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