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The comparison of potential angiotensin I converting enzyme inhibitory peptide derived from Tilapia skin with Captopril: Bioinformation characterization and molecular docking study

Jia-Li Chen  Yuan-Yuan Zhang  Mei-Fang Chen  Fang Gong  Peng Liang  Zhong-Ji Qian  
【摘要】:In our study,the peptide from Tilapia skin Leu-Ser-Gly-Tyr-Gly-Pro(LSGYGP) presents ACE-inhibitory activity and its IC50 is 61.48 μM by HHL assay.It was found that the LSGYGP exhibiting a mixed inhibition pattern in Lineweaver-Burk plots,and molecular docking study suggested its effect mainly attributed to the hydrogen bond interactions and Pi-Alkyl while captopril inhibited ACE in a competitive manner upon hydrogen bond interactions and Zn(II) interaction.Especially Pro generate three interactions(hydrogen bonds,hydrophilic and van der Waals interaction) in LSGYGP all amino acids,indicating that Pro contributed greatly to the formation of stable complexes,four residues of ACE active site(Glu281 from S2 pocket,Asn66,Glu143 and Tyr523 from S1 pocket) greatly contributed to the stabilization of the interaction of ACE with LSGYGP.Above results suggest that the LSGYGP may be a potential natural ACE inhibitor that posses different interaction sites and inhibitory pattern with captopril,it can be used as a drug in vascular diseases,especially hypertension.

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