Llona-Minguez Sabin, Häggblad Maria, Martens Ulf, Johansson Lars, Sigmundsson Kristmundur, Lundbäck Thomas, Loseva Olga, Jemth Ann-Sofie, Lundgren Bo, Jensen Annika Jenmalm, Scobie Martin, Helleday Thomas
Department of Medical Biochemistry and Biophysics, Science for Life Laboratory, Division of Translational Medicine and Chemical Biology, Karolinska Institutet, 17121 Stockholm, Sweden.
RNAi Cell Screening Facility, Department of Biochemistry and Biophysics, Science for Life Laboratory, Stockholm University, S-10691 Stockholm, Sweden.
Bioorg Med Chem Lett. 2017 Aug 1;27(15):3219-3225. doi: 10.1016/j.bmcl.2017.06.039. Epub 2017 Jun 15.
Two screening campaigns using commercial (Chembridge DiverSET) and proprietary (Chemical Biology Consortium Sweden, CBCS) compound libraries, revealed a number of pyridone- and pyrimidinone-derived systems as inhibitors of the human dCTP pyrophosphatase 1 (dCTPase). In this letter, we present their preliminary structure-activity-relationships (SAR) and ligand efficiency scores (LE and LLE).
使用商业（Chembridge DiverSET）和自有（瑞典化学生物学联盟，CBCS）化合物库进行的两项筛选活动，发现了许多吡啶酮和嘧啶酮衍生体系可作为人类dCTP焦磷酸酶1（dCTPase）的抑制剂。在这封信中，我们展示了它们的初步构效关系（SAR）和配体效率得分（LE和LLE）。
