Abstract
ACE inhibitory and antioxidative peptides identified by LCMS/MS, from mixed milk (Bubalus bubalis and Bos taurus) tryptic whey protein hydrolysate, were compared with the in silico predictions. α la and ß lg sequences, both from Bubalus bubalis and Bos taurus, were used for in silico study. SWISS-PROT and BIOPEP protein libraries were accessed for prediction of peptide generation. Study observed gaps in the prediction versus actual results, which remain unaddressed in the literature. Many peptides obtained in vitro, were not reflected in in silico predictions. Differences in identified peptides in separate libraries were observed too. In in silico prediction, peptides with known biological activities were also not reflected. Predictions, towards generation of bioactive peptides, based upon in silico release of proteins and amino acid sequences from different sources and thereupon validation in relation to actual results has often been reported in research literature. Given that computer aided simulation for prediction purposes is an effective research direction, regular updating of protein libraries and an effectual integration, for more precise results, is critical. The gaps addressed between these two techniques of research, have not found any address in literature. Inclusion of more flexibility with the variables, within the tools being used for prediction, and a hierarchy based database with search options for various peptides, will further enhance the scope and strength of research.
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Abbreviations
- AA:
-
Amino acid
- ACE:
-
Angiotensin I converting enzyme
- DPPH:
-
2 diphenyl 1 picryl hydrazyl
- LCMS/MS:
-
Liquid chromatography–mass spectrometry
- QSAR:
-
Quantity-structure-activity-relationship
- WPC:
-
Whey protein concentrate
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Acknowledgments
Thankful acknowledgement to the Director, National Dairy Research Institute for the providing economic assistance in the form of Senior Research Fellowship (Post Graduate Studies) constituted by Indian Council of Agricultural Research, Pusa, New Delhi and other infrastructural amenities for conducting the presented research work.
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Chatterjee, A., Kanawjia, S.K., Khetra, Y. et al. Discordance between in silico & in vitro analyses of ACE inhibitory & antioxidative peptides from mixed milk tryptic whey protein hydrolysate. J Food Sci Technol 52, 5621–5630 (2015). https://doi.org/10.1007/s13197-014-1669-z
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DOI: https://doi.org/10.1007/s13197-014-1669-z