discovery of furan carboxylate derivatives as novel inhibitors of atp-citrate lyase via virtual high-throughput screening：（发现呋喃羧酸盐衍生物新型抑制剂的atp柠檬酸裂解酶通过虚拟大规模筛选）.pdfVIP

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discovery of furan carboxylate derivatives as novel inhibitors of atp-citrate lyase via virtual high-throughput screening：（发现呋喃羧酸盐衍生物新型抑制剂的atp柠檬酸裂解酶通过虚拟大规模筛选）.pdf

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discovery of furan carboxylate derivatives as novel inhibitors of atp-citrate lyase via virtual high-throughput screening：（发现呋喃羧酸盐衍生物新型抑制剂的atp柠檬酸裂解酶通过虚拟大规模筛选）

Bioorganic Medicinal Chemistry Letters 27 (2017) 929–935 Contents lists available at ScienceDirect Bioorganic Medicinal Chemistry Letters journal homepage: www.else /locate/bmcl Discovery of furan carboxylate derivatives as novel inhibitors of ATP-citrate lyase via virtual high-throughput screening Finith E. Jernigan a,1, Jun-ichi Hanai b,c, Vikas P. Sukhatme b,c,d, Lijun Sun a,⇑ a Center for Drug Discovery and Translational Research, Department of Surgery, Beth Israel Deaconess Medical Center, Harvard Medical School, Boston, MA 02215, USA b Division of Interdisciplinary Medicine and Biotechnology, Department of Medicine, Beth Israel Deaconess Medical Center, Harvard Medical School, Boston, MA 02215, USA c Division of Nephrology, Department of Medicine, Beth Israel Deaconess Medical Center, Harvard Medical School, Boston, MA 02215, USA d Division of Hematology-Oncology, Department of Medicine, Beth Israel Deaconess Medical Center, Harvard Medical School, Boston, MA 02215, USA a r t i c l e i n f o a b s t r a c t Article history: The enzyme ATP citrate lyase (ACL) catalyzes the formation of cytosolic acetyl CoA, the starting material Received 5 December 2016 for de novo lipid and cholesterol biosynthesis. The dysfunction and upregulation of ACL in numerous can- Revised 2 January 2017 cers makes it an attractive target for developing anticancer therapies. ACL inhibition by shRNA knock- Accepted 3 January 2017 down limits cancer cell proliferation and reduces cancer stemness. We designed and implemented a Available online 16 January 2017