Abstract
The capability of peptides Leu-Pro-Tyr-Pro (LPYP), Leu-Pro-Tyr-Pro-Arg (LPYPR), and Ser-Pro-Tyr-Pro-Arg (SPYPR) to occupy the part of the binding site ascribed to NADPH in the active center of 3-hydroxy-3-methylglutaryl-coenzyme-A-reductase was analyzed using results from a semi-empirical PM3 method. The similarity of the peptide structures to NADPH was determined by comparing the relative contribution from projections of selected bond lengths in the peptides in two mutually perpendicular planes to the corresponding bond lengths in the nicotinamide part of the substrate. The correlation coefficient between the calculated average values of the relative contributions of the bonds and the inhibitory activity of these peptides is rather high (R = 0.926). This indicates that these peptides can occupy the part of the binding site for NADPH in the active center of the enzyme.
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Translated from Khimiya Prirodnykh Soedinenii, No. 1, pp. 56–59, January–February, 2005.
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Pak, V.V., Ku, M., Li, N. et al. Structures of the Peptide Leu-Pro-Tyr-Pro and Its Derivatives and the Nicotinamide Part of NADPH by a Semi-Empirical PM3 Method. Chem Nat Compd 41, 69–74 (2005). https://doi.org/10.1007/s10600-005-0077-z
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DOI: https://doi.org/10.1007/s10600-005-0077-z