手性驱动的 α-氨基膦酸基变构抑制剂与人法呢基焦磷酸合酶（hFPPS）的结合模式。
Chirality-Driven Mode of Binding of α-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS).
机构信息
Department of Chemistry , McGill University , 801 Sherbrooke Street West , Montreal , Quebec H3A 0B8 , Canada.
Department of Biochemistry , McGill University , 3649 Promenade Sir William Osler , Montreal , Quebeck H3G 0B1 , Canada.
出版信息
J Med Chem. 2019 Nov 14;62(21):9691-9702. doi: 10.1021/acs.jmedchem.9b01104. Epub 2019 Oct 16.
Thienopyrimidine-based allosteric inhibitors of the human farnesyl pyrophosphate synthase (hFPPS), characterized by a chiral α-aminophosphonic acid moiety, were synthesized as enantiomerically enriched pairs, and their binding mode was investigated by X-ray crystallography. A general consensus in the binding orientation of all ()- and ()-enantiomers was revealed. This finding is a prerequisite for establishing a reliable structure-activity relationship (SAR) model.
基于噻吩并嘧啶的人法呢基焦磷酸合酶 (hFPPS) 变构抑制剂，其特征在于手性 α-氨基膦酸部分，被合成为对映体富集的对映体，并且通过 X 射线晶体学研究了它们的结合模式。揭示了所有 ()-和 ()-对映异构体的结合取向的普遍共识。这一发现是建立可靠的构效关系 (SAR) 模型的前提条件。
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