Inhibition kinetics, molecular docking, and stability studies of the effect of papain-generated peptides from palm kernel cake proteins on angiotensin-converting enzyme (ACE)

Mohammad Zarei; Raheleh Ghanbari; Najib Zainal; Reza Ovissipour; Nazamid Saari

doi:10.1016/j.fochms.2022.100147

Inhibition kinetics, molecular docking, and stability studies of the effect of papain-generated peptides from palm kernel cake proteins on angiotensin-converting enzyme (ACE)

Food Chem (Oxf). 2022 Nov 17:5:100147. doi: 10.1016/j.fochms.2022.100147. eCollection 2022 Dec 30.

Authors

Mohammad Zarei¹, Raheleh Ghanbari², Najib Zainal², Reza Ovissipour¹, Nazamid Saari²

Affiliations

¹ Future Foods Lab and Cellular Agriculture Initiative, Virginia Seafood Agricultural Research and Extension Center, Virginia Polytechnic Institute and State University, Hampton, VA 23699, USA.
² Department of Food Science, Faculty of Food Science and Technology, Universiti Putra Malaysia, UPM, Serdang, Selangor 43400, Malaysia.

Abstract

Three novel peptide sequences YGIKVGYAIP, GGIF, and GIFE from papain-generated protein hydrolysate of palm kernel cake proteins were used for stability study against ACE, ACE-inhibition kinetics, and molecular docking studies. Results showed that peptide YGIKVGYAIP was degraded, and its ACE-inhibitory activity decreased after 3 h pre-incubation with ACE, while peptides GGIF and GIFE were resistant. However, although the ACE-inhibitory activity of GIFE increased during this time, the ACE inhibitory activity of GGIF decreased after pre-incubation with ACE, indicating that peptide. YGIKVGYAIP and GGIF are substrate-type, whereas GIFE is a true-inhibitor type. Peptide YGIKVGYAIP showed the lowest K_i (0.054 mM) in the inhibition kinetics study compared to GGIF and GIFE, with K_i of 1.27 m M and 18 mM, respectively. In addition, YGIKVGYAIP revealed the lowest K_m and V_max and higher CE in different peptide concentrations, implying that the enzyme catalysis decreased, and peptides had some binding affinity to the enzyme in lower concentrations, which led to reduced catalytic ability. Furthermore, YGIKVGYAIP showed the lowest docking score of -14.733 and 21 interactions with tACE, while GGIF revealed the higher docking score of -8.006 with 15 interactions with tACE.

Keywords: Angiotensin-converting enzyme inhibitory peptide; Kinetics; Molecular docking; Palm kernel cake.