%0 Journal Article %T An in silico Appraisal to Identify High Affinity Anti-Apoptotic Synthetic Tetrapeptide Inhibitors Targeting the Mammalian Caspase 3 Enzyme %J Asian Pacific Journal of Cancer Prevention %I West Asia Organization for Cancer Prevention (WAOCP), APOCP's West Asia Chapter. %Z 1513-7368 %D 2014 %\ 12/01/2014 %V 15 %N 23 %P 10137-10142 %! An in silico Appraisal to Identify High Affinity Anti-Apoptotic Synthetic Tetrapeptide Inhibitors Targeting the Mammalian Caspase 3 Enzyme %R %X Apoptosis is a general phenomenon of all multicellular organisms and caspases form a group of importantproteins central to suicide of cells. Pathologies like cancer, Myocardial infarction, Stroke, Sepsis, Alzheimer’s,Psoriasis, Parkinson and Huntington diseases are often associated with change in caspase 3 mediated apoptosisand therefore, caspases may serve as potential inhibitory targets for drug development. In the present study,two series of synthetic acetylated tetrapeptides containing aldehyde and fluromethyl keto groups respectivelyat the C terminus were proposed. All these compounds were evaluated for binding affinity against caspase 3structure. In series 1 compound Ac-DEHD-CHO demonstrated appreciable and high binding affinity (RerankScore: -138.899) against caspase 3. While in series 2 it was Ac-WEVD-FMK which showed higher binding affinity(Rerank Score: -139.317). Further these two compounds met ADMET properties and demonstrated to be nontoxic. %U https://journal.waocp.org/article_30237_16e07c339b2d8b5a9c8ebd4eaf8feda8.pdf