Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity.

Autor: Carney DW; Takeda Development Center Americas, Inc, 9625 Towne Centre Drive, San Diego, CA 92121, United States. Electronic address: Daniel.carney@takeda.com., Leffler AE; Schrödinger, Inc, 1540 Broadway, New York, NY 10036, United States. Electronic address: abba.leffler@schrodinger.com., Bell JA; Schrödinger, Inc, 1540 Broadway, New York, NY 10036, United States., Chandrasinghe AS; Schrödinger, Inc, 101 SW Main Street, Suite 1300, Portland, OR 97204, United States., Cheng C; Schrödinger, Inc, 9868 Scranton Road, Suite 3200, San Diego, CA 92121, United States., Chang E; Takeda Development Center Americas, Inc, 9625 Towne Centre Drive, San Diego, CA 92121, United States., Dornford A; Schrödinger, Inc, 1 Main St, 11th Floor, Cambridge, MA 02142, United States., Dougan DR; Takeda Development Center Americas, Inc, 9625 Towne Centre Drive, San Diego, CA 92121, United States., Frye LL; Schrödinger, Inc, 101 SW Main Street, Suite 1300, Portland, OR 97204, United States., Grimes ME; Schrödinger, Inc, 101 SW Main Street, Suite 1300, Portland, OR 97204, United States., Knehans T; Schrödinger GmbH, Glücksteinallee 25, 68163 Mannheim, Germany., Knight JL; Schrödinger, Inc, 1540 Broadway, New York, NY 10036, United States., Komandla M; Takeda Development Center Americas, Inc, 9625 Towne Centre Drive, San Diego, CA 92121, United States., Lane W; Treeline Biosciences, 500 Arsenal Way, Watertown, MA 02472, United States., Li H; Schrödinger, Inc, 9868 Scranton Road, Suite 3200, San Diego, CA 92121, United States., Newman SR; Schrödinger, Inc, 101 SW Main Street, Suite 1300, Portland, OR 97204, United States., Phimister K; Schrödinger Technologies Limited, 1st Floor West, Davidson House, Forbury Square, Reading RG1 3EU, United Kingdom., Saikatendu KS; Takeda Development Center Americas, Inc, 9625 Towne Centre Drive, San Diego, CA 92121, United States., Silverstein H; Schrödinger, Inc, 101 SW Main Street, Suite 1300, Portland, OR 97204, United States., Vafaei S; Schrödinger, Inc, 1540 Broadway, New York, NY 10036, United States.

Publikováno v: Bioorganic & medicinal chemistry [Bioorg Med Chem] 2024 Apr 01; Vol. 103, pp. 117577. Date of Electronic Publication: 2024 Jan 05.

Synopsis of papers presented at the 15th Meeting of the Pathological Society of Great Britain and Ireland.

Publikováno v: Journal of Pathology; 1987, Vol. 151 Issue 1, p23A-102A, 80p