DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors.

Autor: Jimmidi R; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, Texas, 77030, USA., Chamakuri S; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, Texas, 77030, USA. srinivas.chamakuri@bcm.edu., Lu S; Verna and Marrs McLean Department of Biochemistry and Molecular Pharmacology, Baylor College of Medicine, Houston, Texas, 77030, USA., Ucisik MN; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, Texas, 77030, USA., Chen PJ; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, Texas, 77030, USA., Bohren KM; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, Texas, 77030, USA., Moghadasi SA; Department of Biochemistry, Molecular Biology, and Biophysics, University of Minnesota-Twin Cities, Minneapolis, Minnesota, 55455, USA., Versteeg L; Department of Pediatrics, National School of Tropical Medicine, Baylor College of Medicine, Houston, Texas, 77030, USA.; Center for Vaccine Development, Texas Children's Hospital, 1102 Bates Street, Houston, Texas, 77030, USA., Nnabuife C; Verna and Marrs McLean Department of Biochemistry and Molecular Pharmacology, Baylor College of Medicine, Houston, Texas, 77030, USA., Li JY; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, Texas, 77030, USA., Qin X; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, Texas, 77030, USA., Chen YC; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, Texas, 77030, USA., Faver JC; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, Texas, 77030, USA., Nyshadham P; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, Texas, 77030, USA., Sharma KL; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, Texas, 77030, USA., Sankaran B; Department of Molecular Biophysics and Integrated Bioimaging, Berkeley Center for Structural Biology, Lawrence Berkeley National Laboratory, Berkeley, California, 94720, USA., Judge A; Verna and Marrs McLean Department of Biochemistry and Molecular Pharmacology, Baylor College of Medicine, Houston, Texas, 77030, USA., Yu Z; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, Texas, 77030, USA., Li F; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, Texas, 77030, USA.; Verna and Marrs McLean Department of Biochemistry and Molecular Pharmacology, Baylor College of Medicine, Houston, Texas, 77030, USA., Pollet J; Department of Pediatrics, National School of Tropical Medicine, Baylor College of Medicine, Houston, Texas, 77030, USA.; Center for Vaccine Development, Texas Children's Hospital, 1102 Bates Street, Houston, Texas, 77030, USA., Harris RS; Department of Biochemistry and Structural Biology, University of Texas Health San Antonio, San Antonio, Texas, 78229, USA.; Howard Hughes Medical Institute, University of Texas Health San Antonio, San Antonio, Texas, 78229, USA., Matzuk MM; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, Texas, 77030, USA.; Verna and Marrs McLean Department of Biochemistry and Molecular Pharmacology, Baylor College of Medicine, Houston, Texas, 77030, USA., Palzkill T; Verna and Marrs McLean Department of Biochemistry and Molecular Pharmacology, Baylor College of Medicine, Houston, Texas, 77030, USA. timothyp@bcm.edu., Young DW; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, Texas, 77030, USA. damian.young@bcm.edu.; Verna and Marrs McLean Department of Biochemistry and Molecular Pharmacology, Baylor College of Medicine, Houston, Texas, 77030, USA. damian.young@bcm.edu.

Publikováno v: Communications chemistry [Commun Chem] 2023 Aug 04; Vol. 6 (1), pp. 164. Date of Electronic Publication: 2023 Aug 04.

DNA-encoded chemistry technology yields expedient access to SARS-CoV-2 M ^pro inhibitors.

Autor: Chamakuri S; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, TX 77030., Lu S; Department of Pharmacology and Chemical Biology, Baylor College of Medicine, Houston, TX 77030., Ucisik MN; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, TX 77030., Bohren KM; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, TX 77030., Chen YC; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, TX 77030., Du HC; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, TX 77030., Faver JC; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, TX 77030., Jimmidi R; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, TX 77030., Li F; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, TX 77030.; Department of Pharmacology and Chemical Biology, Baylor College of Medicine, Houston, TX 77030., Li JY; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, TX 77030., Nyshadham P; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, TX 77030., Palmer SS; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, TX 77030., Pollet J; Department of Pediatrics, National School of Tropical Medicine, Baylor College of Medicine, Houston, TX 77030.; Center for Vaccine Development, Texas Children's Hospital, Houston, TX 77030., Qin X; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, TX 77030., Ronca SE; Department of Pediatrics, National School of Tropical Medicine, Baylor College of Medicine, Houston, TX 77030., Sankaran B; Department of Molecular Biophysics and Integrated Bioimaging, Berkeley Center for Structural Biology, Lawrence Berkeley National Laboratory, Berkeley, CA 94720., Sharma KL; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, TX 77030., Tan Z; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, TX 77030., Versteeg L; Department of Pediatrics, National School of Tropical Medicine, Baylor College of Medicine, Houston, TX 77030.; Center for Vaccine Development, Texas Children's Hospital, Houston, TX 77030., Yu Z; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, TX 77030., Matzuk MM; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, TX 77030; mmatzuk@bcm.edu timothyp@bcm.edu damian.young@bcm.edu.; Department of Pharmacology and Chemical Biology, Baylor College of Medicine, Houston, TX 77030., Palzkill T; Department of Pharmacology and Chemical Biology, Baylor College of Medicine, Houston, TX 77030; mmatzuk@bcm.edu timothyp@bcm.edu damian.young@bcm.edu.; Verna and Marrs McLean Department of Biochemistry and Molecular Biology, Baylor College of Medicine, Houston, TX 77030., Young DW; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, TX 77030; mmatzuk@bcm.edu timothyp@bcm.edu damian.young@bcm.edu.; Department of Pharmacology and Chemical Biology, Baylor College of Medicine, Houston, TX 77030.; Verna and Marrs McLean Department of Biochemistry and Molecular Biology, Baylor College of Medicine, Houston, TX 77030.

Publikováno v: Proceedings of the National Academy of Sciences of the United States of America [Proc Natl Acad Sci U S A] 2021 Sep 07; Vol. 118 (36).

Discovery of potent thrombin inhibitors from a protease-focused DNA-encoded chemical library.

Autor: Dawadi S; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, TX 77030 dawadi@bcm.edu mmatzuk@bcm.edu., Simmons N; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, TX 77030., Miklossy G; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, TX 77030., Bohren KM; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, TX 77030., Faver JC; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, TX 77030., Ucisik MN; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, TX 77030., Nyshadham P; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, TX 77030., Yu Z; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, TX 77030., Matzuk MM; Center for Drug Discovery, Department of Pathology & Immunology, Baylor College of Medicine, Houston, TX 77030 dawadi@bcm.edu mmatzuk@bcm.edu.

Publikováno v: Proceedings of the National Academy of Sciences of the United States of America [Proc Natl Acad Sci U S A] 2020 Jul 21; Vol. 117 (29), pp. 16782-16789. Date of Electronic Publication: 2020 Jul 08.

C-N Coupling of DNA-Conjugated (Hetero)aryl Bromides and Chlorides for DNA-Encoded Chemical Library Synthesis.

Autor: Chen YC; Center for Drug Discovery, Department of Pathology and Immunology, Baylor College of Medicine, Houston, Texas 77030, United States., Faver JC; Center for Drug Discovery, Department of Pathology and Immunology, Baylor College of Medicine, Houston, Texas 77030, United States., Ku AF; Center for Drug Discovery, Department of Pathology and Immunology, Baylor College of Medicine, Houston, Texas 77030, United States., Miklossy G; Center for Drug Discovery, Department of Pathology and Immunology, Baylor College of Medicine, Houston, Texas 77030, United States., Riehle K; Center for Drug Discovery, Department of Pathology and Immunology, Baylor College of Medicine, Houston, Texas 77030, United States., Bohren KM; Center for Drug Discovery, Department of Pathology and Immunology, Baylor College of Medicine, Houston, Texas 77030, United States., Ucisik MN; Center for Drug Discovery, Department of Pathology and Immunology, Baylor College of Medicine, Houston, Texas 77030, United States., Matzuk MM; Center for Drug Discovery, Department of Pathology and Immunology, Baylor College of Medicine, Houston, Texas 77030, United States., Yu Z; Center for Drug Discovery, Department of Pathology and Immunology, Baylor College of Medicine, Houston, Texas 77030, United States., Simmons N; Center for Drug Discovery, Department of Pathology and Immunology, Baylor College of Medicine, Houston, Texas 77030, United States.

Publikováno v: Bioconjugate chemistry [Bioconjug Chem] 2020 Mar 18; Vol. 31 (3), pp. 770-780. Date of Electronic Publication: 2020 Feb 21.

Effects of Active Site Mutations on Specificity of Nucleobase Binding in Human DNA Polymerase η.

Autor: Ucisik MN; Department of Chemistry, University of Illinois at Urbana-Champaign , 600 South Mathews Avenue, Urbana, Illinois 61801-3364, United States., Hammes-Schiffer S; Department of Chemistry, University of Illinois at Urbana-Champaign , 600 South Mathews Avenue, Urbana, Illinois 61801-3364, United States.

Publikováno v: The journal of physical chemistry. B [J Phys Chem B] 2017 Apr 20; Vol. 121 (15), pp. 3667-3675. Date of Electronic Publication: 2016 Nov 23.