Novel pyrrole-and 1, 2, 3-triazole-based 2, 3-oxidosqualene cyclase inhibitors

T Watanabe, Y Umezawa, Y Takahashi…

Index: Watanabe, Takumi; Umezawa, Yoji; Takahashi, Yoshikazu; Akamatsu, Yuzuru Bioorganic and Medicinal Chemistry Letters, 2010 , vol. 20, # 19 p. 5807 - 5810

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Citation Number: 15

Abstract

Pyrrole-and 1, 2, 3-triazole-based 2, 3-oxidosqualene cyclase (OSC) inhibitors 3 and 4 were discovered by conducting a virtual screening, a docking study based on the crystallographic structure of OSC, and biological assays. The hit rate of the assays was increased by establishing appropriate substructural filters in the virtual screening stage. Amide derivatives of 8 and 12 preserved the inhibitory activity of parent compound 3, which provided a ...