Citation: HUANG Guo-Dong, ZHANG Rong, LUO Yong-Ping, ZENG Wei, WU Wen-Juan. Studies on the QSAR of ACE Inhibitory Tripeptides with Proline as C-Terminal and Determination Inhibitory Activities[J]. Chinese Journal of Structural Chemistry, ;2014, 33(12): 1741-1748. doi: 10.14102/j.cnki.0254-5861.2011-0395 shu

Studies on the QSAR of ACE Inhibitory Tripeptides with Proline as C-Terminal and Determination Inhibitory Activities

a.
a. Lab of Physical Chemistry, College of Pharmacy, Guangdong Pharmaceutical University, Guangzhou 510006, China;
b.
b. Department of Hepatobiliary Surgery, First Affiliated Hospital, Guangdong Pharmaceutical University, Guangzhou 510080, China

Corresponding author: ZHANG Rong,
Received Date: 1 May 2014
Available Online: 25 September 2014
Fund Project: Supported by the National Natural Science Foundation of China (No, 20903026) (No, 20903026) the Talents Introduction Foundation for Universities of Guangdong Province (2011) (2011)

A database of 38 tripeptides with C-terminal proline was constructed to study QSAR of ACE inhibitory peptides. The model was established using PLS based on the three z-scores of 20 coded amino acids. The prediction ability of tripeptides model was improved with proline as terminal. The coefficient of determination (R²) and the cross validated coefficient (Q_LOO²) of the model are 0.856 and 0.782 respectively. According to the model, two potential ACE inhibitory tripeptides ⅡP and IVP were synthesized. Their IC₅₀ (inhibitor concentration that reduced enzyme activity by 50%) were proved to be 1.58 and 1.39 μM respectively by direct spectrophotometric measurement, and they are very close to the predicted value by the model.
- proline,
- ACE tripeptides inhibitor,
- QSAR,
- direct spectrophotometric assay
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