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논문 기본 정보

자료유형
학술저널
저자정보
Kelotra, Seema (M.B Khalsa College) Jain, Meeta (School of Biochemistry, Devi Ahilya University, Takshashila Campus) Kelotra, Ankit (School of Biochemistry, Devi Ahilya University, Takshashila Campus) Jain, Ish (In silico Research Laboratory, Eminent Biosciences) Bandaru, Srinivas (Institute of Genetics and Hospital for Genetic Diseases, Osmania University) Nayarisseri, Anuraj (In silico Research Laboratory, Eminent Biosciences) Bidwai, Anil (Index medical College)
저널정보
아시아태평양암예방학회 Asian Pacific journal of cancer prevention : APJCP Asian Pacific journal of cancer prevention : APJCP 제15권 제23호
발행연도
2014.1
수록면
10,137 - 10,142 (6page)

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Apoptosis is a general phenomenon of all multicellular organisms and caspases form a group of important proteins 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 apoptosis and 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 respectively at the C terminus were proposed. All these compounds were evaluated for binding affinity against caspase 3 structure. In series 1 compound Ac-DEHD-CHO demonstrated appreciable and high binding affinity (Rerank Score: -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 non-toxic.

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