π An efficient method for the synthesis of peptide aldehyde libraries employed in the discovery of reversible SARS coronavirus main protease (SARS-Cov Mpro) inhibitors
A method for the parallel solid-phase synthesis of peptide aldehydes has been developed. Protected amino acid aldehydes obtained by the racemization-free oxidation of amino alcohols with Dess-Martin periodinane were immobilized on threonyl resins as oxazolidines. Following Boc protection of the ring nitrogen to yield the N-protected oxazolidine linker, peptide synthesis was performed efficiently on this resin. A peptide aldehyde library was designed for targeting the SARS coronavirus main protease, SARS-CoV Mpro(also known as 3CLpro), on the basis of three different reported binding modes and supported by virtual screening. A set of 25 peptide aldehydes was prepared by this method and investigated in inhibition assays against SARS-CoV M pro. Several potent inhibitors were found with IC50 values in the low micromolar range. An IC50 of 7.5 ΞΌM was found for AcNSTSQ-H and AcESTLQ-H. Interestingly, the most potent inhibitors seem to bind to SARS-CoV Mpro in a noncanonical binding mode. Β© 2006 Wiley-VCH Verlag GmbH & Co. KGaA.
author
π€ Al-Gharabli, Samer I.
π€ Ali Shah, Syed T.
π€ Weik, Steffen
π€ Schmidt, Marco F.
π€ Mesters, Jeroen R.
π€ Kuhn, Daniel
π€ Klebe, Gerhard
π€ Hilgenfeld, Rolf
π€ Rademann, JΓΆrg
year
β° 2006
journal
π ChemBioChem
issn
π 14394227 14397633
volume
7
number
7
page
1048-1055
citedbycount
32
download
π [BibTeX]