Analysis of Docking Study on Protein Neprilysin (Neutral Endopeptidase) Inhibition for Anti Aging Treatment by Aloe Emodin and Aloe Emodin Carbonyl Derivative
作者: Ritesh P. Bhole Ashish N. Sharma Sohan S. Chitlange
刊名: Research & Reviews: A Journal of Drug Design & Discovery, 2014, Vol.1 (3)
来源数据库: STM Journals
关键词: dockingantiagingaloe emodinneprilysin
原始语种摘要: Attempts were made to perform comparative?docking study of Aloe emodin and its derivative on Neprilysin (PDB code: 1R1J) by using VLife MDS software to ascertain the activity of both.?From all the interactions (Hydrogen bond and vander waals) it was observed that, the common amino acids which interacts with the common ligand were ASN542A, ALA543A,?ARG102A, ASN542A, VAL580A.?The result showed that the AEC (- 1790.15KCal) showed high total binding energy (ΔG) as compared to AE (-1289.55?KCal).?Interactions of AEC reference ligand with protein NEP were studied. The results revels high vander wall bond interaction compared to hydrogen bond among different amino acid.?The compound may be the most active antiaging agent as per Docking results. The compound AEC was most active while compound AE...
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  • docking 靠泊
  • common 普通
  • antiaging 防老化作用
  • derivative 衍生物
  • ascertain 确定
  • compound 复合物
  • amino 氨基
  • reference 基准电压源
  • software 软件
  • comparative 比较的