Potent small molecule inhibitors against the 3C protease of foot-and-mouth disease virus.

Autor: Kim Y; Department of Diagnostic Medicine and Pathobiology, College of Veterinary Medicine, Kansas State University, Manhattan, Kansas, USA., Pool E; Department of Diagnostic Medicine and Pathobiology, College of Veterinary Medicine, Kansas State University, Manhattan, Kansas, USA., Kim E; Department of Diagnostic Medicine and Pathobiology, College of Veterinary Medicine, Kansas State University, Manhattan, Kansas, USA., Dampalla CS; Department of Chemistry, Wichita State University, Wichita, Kansas, USA., Nguyen HN; Department of Chemistry, Wichita State University, Wichita, Kansas, USA., Johnson DK; Computational Chemical Biology Core, The University of Kansas, Lawrence, Kansas, USA., Lovell S; Protein Structure and X-ray Crystallography Laboratory, The University of Kansas, Lawrence, Kansas, USA., Groutas WC; Department of Chemistry, Wichita State University, Wichita, Kansas, USA., Chang K-O; Department of Diagnostic Medicine and Pathobiology, College of Veterinary Medicine, Kansas State University, Manhattan, Kansas, USA.

Publikováno v: Microbiology spectrum [Microbiol Spectr] 2024 Apr 02; Vol. 12 (4), pp. e0337223. Date of Electronic Publication: 2024 Mar 11.

Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).

Autor: Dampalla CS; Department of Chemistry and Biochemistry, Wichita State University, Wichita, KS, 67260, USA., Miller MJ; Department of Chemistry and Biochemistry, Wichita State University, Wichita, KS, 67260, USA., Kim Y; Department of Diagnostic Medicine & Pathobiology, College of Veterinary Medicine, Kansas State University, Manhattan, KS, 66506, USA., Zabiegala A; Department of Diagnostic Medicine & Pathobiology, College of Veterinary Medicine, Kansas State University, Manhattan, KS, 66506, USA., Nguyen HN; Department of Chemistry and Biochemistry, Wichita State University, Wichita, KS, 67260, USA., Madden TK; Department of Chemistry and Biochemistry, Wichita State University, Wichita, KS, 67260, USA., Thurman HA; Department of Chemistry and Biochemistry, Wichita State University, Wichita, KS, 67260, USA., Machen AJ; Protein Structure and X-ray Crystallography Laboratory, The University of Kansas, Lawrence, KS, 66047, USA., Cooper A; Protein Structure and X-ray Crystallography Laboratory, The University of Kansas, Lawrence, KS, 66047, USA., Liu L; Protein Structure and X-ray Crystallography Laboratory, The University of Kansas, Lawrence, KS, 66047, USA., Battaile KP; NYX, New York Structural Biology Center, Upton, NY, 11973, USA., Lovell S; Protein Structure and X-ray Crystallography Laboratory, The University of Kansas, Lawrence, KS, 66047, USA., Chang KO; Department of Diagnostic Medicine & Pathobiology, College of Veterinary Medicine, Kansas State University, Manhattan, KS, 66506, USA. Electronic address: kchang@vet.ksu.edu., Groutas WC; Department of Chemistry and Biochemistry, Wichita State University, Wichita, KS, 67260, USA. Electronic address: bill.groutas@wichita.edu.

Publikováno v: European journal of medicinal chemistry [Eur J Med Chem] 2023 Jun 05; Vol. 254, pp. 115376. Date of Electronic Publication: 2023 Apr 15.

Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.

Autor: Dampalla CS; Department of Chemistry and Biochemistry, Wichita State University, Wichita, Kansas 67260, United States., Rathnayake AD; Department of Chemistry and Biochemistry, Wichita State University, Wichita, Kansas 67260, United States., Galasiti Kankanamalage AC; Department of Chemistry and Biochemistry, Wichita State University, Wichita, Kansas 67260, United States., Kim Y; Department of Diagnostic Medicine & Pathobiology, College of Veterinary Medicine, Kansas State University, Manhattan, Kansas 66506, United States., Perera KD; Department of Diagnostic Medicine & Pathobiology, College of Veterinary Medicine, Kansas State University, Manhattan, Kansas 66506, United States., Nguyen HN; Department of Chemistry and Biochemistry, Wichita State University, Wichita, Kansas 67260, United States., Miller MJ; Department of Chemistry and Biochemistry, Wichita State University, Wichita, Kansas 67260, United States., Madden TK; Department of Chemistry and Biochemistry, Wichita State University, Wichita, Kansas 67260, United States., Picard HR; Department of Chemistry and Biochemistry, Wichita State University, Wichita, Kansas 67260, United States., Thurman HA; Department of Chemistry and Biochemistry, Wichita State University, Wichita, Kansas 67260, United States., Kashipathy MM; Protein Structure Laboratory, The University of Kansas, Lawrence, Kansas 66047, United States., Liu L; Protein Structure Laboratory, The University of Kansas, Lawrence, Kansas 66047, United States., Battaile KP; NYX, New York Structural Biology Center, Upton, New York 11973, United States., Lovell S; Protein Structure Laboratory, The University of Kansas, Lawrence, Kansas 66047, United States., Chang KO; Department of Diagnostic Medicine & Pathobiology, College of Veterinary Medicine, Kansas State University, Manhattan, Kansas 66506, United States., Groutas WC; Department of Chemistry and Biochemistry, Wichita State University, Wichita, Kansas 67260, United States.

Publikováno v: Journal of medicinal chemistry [J Med Chem] 2022 Jun 09; Vol. 65 (11), pp. 7818-7832. Date of Electronic Publication: 2022 May 31.

Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease.

Autor: Dampalla CS; Department of Chemistry, Wichita State University, Wichita, Kansas 67260, United States., Kim Y; Department of Diagnostic Medicine & Pathobiology, College of Veterinary Medicine, Kansas State University, Manhattan, Kansas 66506, United States., Bickmeier N; Department of Diagnostic Medicine & Pathobiology, College of Veterinary Medicine, Kansas State University, Manhattan, Kansas 66506, United States., Rathnayake AD; Department of Chemistry, Wichita State University, Wichita, Kansas 67260, United States., Nguyen HN; Department of Chemistry, Wichita State University, Wichita, Kansas 67260, United States., Zheng J; Department of Microbiology and Immunology, Carver College of Medicine, University of Iowa, Iowa City, Iowa 52242, United States., Kashipathy MM; Protein Structure Laboratory, The University of Kansas, Lawrence, Kansas 66047, United States., Baird MA; Department of Chemistry, Wichita State University, Wichita, Kansas 67260, United States., Battaile KP; NYX, New York Structural Biology Center, Upton, New York 11973, United States., Lovell S; Protein Structure Laboratory, The University of Kansas, Lawrence, Kansas 66047, United States., Perlman S; Department of Microbiology and Immunology, Carver College of Medicine, University of Iowa, Iowa City, Iowa 52242, United States., Chang KO; Department of Diagnostic Medicine & Pathobiology, College of Veterinary Medicine, Kansas State University, Manhattan, Kansas 66506, United States., Groutas WC; Department of Chemistry, Wichita State University, Wichita, Kansas 67260, United States.

Publikováno v: Journal of medicinal chemistry [J Med Chem] 2021 Jul 22; Vol. 64 (14), pp. 10047-10058. Date of Electronic Publication: 2021 Jul 02.

Structure-Guided Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease.

Autor: Rathnayake AD; Department of Chemistry, Wichita State University, Wichita, Kansas 67260, United States., Kim Y; Department of Diagnostic Medicine & Pathobiology, College of Veterinary Medicine, Kansas State University, Manhattan, Kansas 66506, United States., Dampalla CS; Department of Chemistry, Wichita State University, Wichita, Kansas 67260, United States., Nguyen HN; Department of Chemistry, Wichita State University, Wichita, Kansas 67260, United States., Jesri AM; Department of Chemistry, Wichita State University, Wichita, Kansas 67260, United States., Kashipathy MM; Protein Structure Laboratory, The University of Kansas, Lawrence, Kansas 66047, United States., Lushington GH; LiS Consulting, Lawrence, Kansas 66046, United States., Battaile KP; NYX, New York Structural Biology Center, Upton, New York 11973, United States., Lovell S; Protein Structure Laboratory, The University of Kansas, Lawrence, Kansas 66047, United States., Chang KO; Department of Diagnostic Medicine & Pathobiology, College of Veterinary Medicine, Kansas State University, Manhattan, Kansas 66506, United States., Groutas WC; Department of Chemistry, Wichita State University, Wichita, Kansas 67260, United States.

Publikováno v: Journal of medicinal chemistry [J Med Chem] 2020 Oct 22; Vol. 63 (20), pp. 11945-11963. Date of Electronic Publication: 2020 Oct 02.