Addition/Correction pubs.acs.org/jmc
Correction to Discovery of a Potent and Selective Coactivator Associated Arginine Methyltransferase 1 (CARM1) Inhibitor by Virtual Screening Renato Ferreira de Freitas,* Mohammad S. Eram, David Smil, Magdalena M. Szewczyk, Steven Kennedy, Peter J. Brown, Vijayaratnam Santhakumar, Dalia Barsyte-Lovejoy, Cheryl H. Arrowsmith, Masoud Vedadi,* and Matthieu Schapira* Journal of Medicinal Chemistry 2016, 59, 6838−6847. DOI: 10.1021/acs.jmedchem.6b00668 Page S16 of Supporting Information. (1) In the caption to Figure S1, the sentence “... compound 2 into PRMT6 ...” should be “... compound 2 into mPRMT6 (PDB code 4C03) ...”. (2) In the caption to Figure S1, the sentence “... group towards Cys53 in PRMT6 ...” should be “... group towards Cys53 in mPRMT6 (Cys50 in hPRMT6) ...”. Page S17 of Supporting Information. In the caption to Figure S2, the sentence “... compound 1 into PRMT6 ...” should be “... compound 1 into mPRMT6 (PDB code 4C03) ...”. Page S18 of Supporting Information. In the 2nd line from the top, the sentence “... is absent in PRMT6 ...” should be “... is absent in hPRMT6 (PDB code 5E8R) ...”.
We used the crystal structure of mouse PRMT6 (PDB code 4C03) in the virtual screening study, as it was the only available PRMT6 structure with a complete substrate-binding pocket at the time. Mouse PRMT6 was also used in the docking study of compound 6 (Figure 3B) as stated in the manuscript as well as compounds 2 (Figure S1) and 1 (Figure S2). As a complete structure of human PRMT6 became available (PDB code 5E8R) we used this structure in the docking study of compound 27. Consequently, PRMT6 residue numbering alternates between mouse and human PRMT6 in text and figures, which can be confusing. To clarify, we now clearly state whether mouse or human numbering is used. Page 6839. (1) In the 10th line of the section Virtual Screening, the sentence “... binding pocket of PRMT6 ...” should be “... binding pocket of mPRMT6 ...”. (2) In the 11th line of the section Virtual Screening, the sentence “... constraints at Glu158, His320, Met160 (only for 2), and Glu167 (only for 1) ...” should be “... constraints at Glu158, His320, Met160 (only for 2), and Glu167 (only for 1) (Glu155, His317, Met157, and Glu164, respectively, in hPRMT6).” (3) In the 15th line of the section Virtual Screening, the sentence “... toward Cys53 ...” should be “... toward Cys53 (Cys50 in hPRMT6) ...”. Page 6840. (1) At the start of the first paragraph in the lefthand column, the sentence “The alanine-amide tail of 1 ...” should be “An alanine- or glycine-amide tail ...”. (2) In the second line of the right-hand column, the sentence “... glutamic acid (E258 in CARM1, E155 in PRMT6) ...” should be “... glutamic acid (E258 in CARM1, E155 in hPRMT6, E158 in mPRMT6) ...”. Page 6841. (1) In the 12th line of the left-hand column, the sentence “... and C53, V59, and H166 in PRMT6, respectively).” should be “... and C53, V59, and H166 in mPRMT6 (C50, V56, and H163 in hPRMT6, respectively).” (2) In the caption to Figure 3, the sentence “... binding mode of 6 against PRMT6 ...” should be “... binding mode of 6 against mPRMT6 (residue numbering of mPRMT6 [PDB code 4C03] is shown) ...”. Page 6842. In the 5th line of the section Binding Mode of 27, the sentence “... crystal structure of PRMT6 ...” should be “... crystal structure of hPRMT6 ...”. Page 6843. In left-hand column, in the 3rd line below Table 5, the sentence “... aromatic residues Y62, F153, F154 ...” should be “aromatic residues Y262, F153, Y154 ...”. © 2016 American Chemical Society
Published: August 3, 2016 7698
DOI: 10.1021/acs.jmedchem.6b01095 J. Med. Chem. 2016, 59, 7698−7698
