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Discovery of sulfone containing metallo-β-lactamase inhibitors with reduced bacterial cell efflux and histamine release issues.

Autor: Bennett F; Merck & Co., Inc., Department of Medicinal Chemistry, 126 E. Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: frank.bennett@merck.com., Huang Y; Merck & Co., Inc., Department of Medicinal Chemistry, 126 E. Lincoln Avenue, Rahway, NJ 07065, USA., Dong S; Merck & Co., Inc., Department of Medicinal Chemistry, 126 E. Lincoln Avenue, Rahway, NJ 07065, USA., Jiang J; Merck & Co., Inc., Department of Medicinal Chemistry, 126 E. Lincoln Avenue, Rahway, NJ 07065, USA., Hunter D; Merck & Co., Inc., Department of Medicinal Chemistry, 126 E. Lincoln Avenue, Rahway, NJ 07065, USA., Zhao Z; Merck & Co., Inc., Department of Medicinal Chemistry, 126 E. Lincoln Avenue, Rahway, NJ 07065, USA., Gu X; Merck & Co., Inc., Department of Medicinal Chemistry, 126 E. Lincoln Avenue, Rahway, NJ 07065, USA., Scott JD; Merck & Co., Inc., Department of Medicinal Chemistry, 126 E. Lincoln Avenue, Rahway, NJ 07065, USA., Tang H; Merck & Co., Inc., Department of Medicinal Chemistry, 126 E. Lincoln Avenue, Rahway, NJ 07065, USA., Yang D; Merck & Co., Inc., Department of Medicinal Chemistry, 126 E. Lincoln Avenue, Rahway, NJ 07065, USA., Xiao L; Merck & Co., Inc., Department of Computational and Structural Chemistry, 126 E. Lincoln Avenue., Rahway, NJ 07065, USA., Scapin G; Merck & Co., Inc., Department of Computational and Structural Chemistry, 126 E. Lincoln Avenue., Rahway, NJ 07065, USA., Fischmann T; Merck & Co., Inc., Department of Computational and Structural Chemistry, 126 E. Lincoln Avenue., Rahway, NJ 07065, USA., Mirza A; Merck & Co., Inc., Department of Infectious Diseases, 770 Sumneytown Pike., West Point, PA 19486, USA., Dayananth P; Merck & Co., Inc., Department of Pharmacology, 770 Sumneytown Pike, West Point, PA 19486, USA., Painter RE; Merck & Co., Inc., Department of Pharmacology, 770 Sumneytown Pike, West Point, PA 19486, USA., Villafania A; Merck & Co., Inc., Department of Pharmacology, 770 Sumneytown Pike, West Point, PA 19486, USA., Garlisi CG; Merck & Co., Inc., Department of Pharmacology, 770 Sumneytown Pike, West Point, PA 19486, USA., Zhang R; Merck & Co., Inc., Department of Pharmacology, 770 Sumneytown Pike, West Point, PA 19486, USA., Mayhood TW; Merck & Co., Inc., Department of Pharmacology, 770 Sumneytown Pike, West Point, PA 19486, USA., Si Q; Merck & Co., Inc., Department of Pharmacology, 770 Sumneytown Pike, West Point, PA 19486, USA., Li N; Merck & Co., Inc., Department of Nonclinical Drug Safety, 770 Sumneytown Pike, West Point, PA 19486, USA., Amin RP; Merck & Co., Inc., Department of Nonclinical Drug Safety, 770 Sumneytown Pike, West Point, PA 19486, USA., Chen F; Merck & Co., Inc., Department of Nonclinical Drug Safety, 770 Sumneytown Pike, West Point, PA 19486, USA., Bhatt B; Merck & Co., Inc., Department of Nonclinical Drug Safety, 770 Sumneytown Pike, West Point, PA 19486, USA., Regan CP; Merck & Co., Inc., Department of Nonclinical Drug Safety, 770 Sumneytown Pike, West Point, PA 19486, USA., Regan H; Merck & Co., Inc., Department of Nonclinical Drug Safety, 770 Sumneytown Pike, West Point, PA 19486, USA., Lin X; Merck & Co., Inc., Department of Pharmacokinetics and Pharmacodynamics, 770 Sumneytown Pike, West Point, PA 19486, USA., Wu J; Merck & Co., Inc., Department of Pharmacokinetics and Pharmacodynamics, 770 Sumneytown Pike, West Point, PA 19486, USA., Leithead A; Merck & Co., Inc., Department of Pharmaceutical Sciences, 770 Sumneytown Pike, West Point, PA 19486, USA., Young K; Merck & Co., Inc., Department of Infectious Diseases, 770 Sumneytown Pike., West Point, PA 19486, USA., Pasternak A; Merck & Co., Inc., Department of Medicinal Chemistry, 126 E. Lincoln Avenue, Rahway, NJ 07065, USA.

Publikováno v: Bioorganic & medicinal chemistry letters [Bioorg Med Chem Lett] 2024 Dec 01; Vol. 114, pp. 129989. Date of Electronic Publication: 2024 Oct 11.

Structure Guided Discovery of Novel Pan Metallo-β-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.

Autor: Dong S; Discovery Chemistry, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Zhao Z; Discovery Chemistry, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Tang H; Discovery Chemistry, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Li G; Discovery Chemistry, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Pan J; Discovery Chemistry, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Gu X; Discovery Chemistry, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Jiang J; Discovery Chemistry, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Xiao L; Computational and Structural Chemistry, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Scapin G; Computational and Structural Chemistry, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Hunter DN; Discovery Chemistry, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Yang D; Discovery Chemistry, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Huang Y; Discovery Chemistry, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Bennett F; Discovery Chemistry, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Yang SW; Discovery Chemistry, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Mandal M; Discovery Chemistry, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Tang H; Discovery Chemistry, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Su J; Discovery Chemistry, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Tudge C; Discovery Chemistry, Merck & Co., Inc., Rahway, New Jersey 07065, United States., deJesus RK; Discovery Chemistry, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Ding FX; Discovery Chemistry, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Lombardo M; Discovery Chemistry, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Hicks JD; Discovery Chemistry, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Fischmann T; Computational and Structural Chemistry, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Mirza A; Antibacterial/Antifungal, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Dayananth P; Quantitative Biosciences, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Painter RE; Quantitative Biosciences, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Villafania A; Quantitative Biosciences, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Garlisi CG; Quantitative Biosciences, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Zhang R; Quantitative Biosciences, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Mayhood TW; Quantitative Biosciences, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Si Q; Quantitative Biosciences, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Li N; Nonclinical Drug Safety, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Amin RP; Nonclinical Drug Safety, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Bhatt B; Nonclinical Drug Safety, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Chen F; Nonclinical Drug Safety, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Regan CP; Nonclinical Drug Safety, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Regan H; Nonclinical Drug Safety, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Lin X; Pharmacokinetics Pharmacodynamics and Drug Metabolism, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Wu J; Pharmacokinetics Pharmacodynamics and Drug Metabolism, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Leithead A; Discovery Pharmaceutical Sciences, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Pollack SR; Discovery Process Chemistry, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Scott JD; Discovery Chemistry, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Nargund RP; Discovery Chemistry, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Therien AG; Exploratory Science Center, Merck & Co., Inc., Cambridge, Massachusetts 02139, United States., Black T; Antibacterial/Antifungal, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Young K; Antibacterial/Antifungal, Merck & Co., Inc., West Point, Pennsylvania 19486, United States., Pasternak A; Discovery Chemistry, Merck & Co., Inc., Rahway, New Jersey 07065, United States.

Publikováno v: Journal of medicinal chemistry [J Med Chem] 2024 Mar 14; Vol. 67 (5), pp. 3400-3418. Date of Electronic Publication: 2024 Feb 22.