β-羟基苯基膦硼烷衍生物的物理化学特性及其作为核雌激素受体配体的评估
Physicochemical characterization of -hydroxyphenyl phosphine borane derivatives and their evaluation as nuclear estrogen receptor ligands.
作者信息
Miyajima Yu, Noguchi-Yachide Tomomi, Ochiai Kotaro, Fujii Shinya
机构信息
Institute of Biomaterials and Bioengineering, Tokyo Medical and Dental University 2-3-10 Kanda-Surugadai Chiyoda-ku Tokyo 101-0062 Japan
Institute for Quantitative Biosciences, The University of Tokyo 1-1-1 Yayoi Bunkyo-ku Tokyo 113-0032 Japan.
出版信息
RSC Med Chem. 2023 Oct 2;15(1):119-126. doi: 10.1039/d3md00350g. eCollection 2024 Jan 25.
Increasing the structural options in medicinal chemistry is a promising approach to develop new drug candidates. In this research, we designed and synthesized a series of -hydroxyphenyl phosphine borane derivatives and investigated their structure-property and structure-activity relationships. The synthesized -phenylphosphine borane derivatives exhibited sufficient stability in aqueous media, weaker hydrophobicity than the corresponding alkanes and silanes, and sufficient affinity for lipid membranes to enable permeability. Several -hydroxyphenyl phosphine borane derivatives exhibited significant estrogen receptor (ER) agonistic activity with superior ligand-lipophilicity efficiency (LLE). The phosphine borane framework appears to be a promising option for structural development in drug discovery studies.
增加药物化学中的结构选择是开发新候选药物的一种有前景的方法。在本研究中，我们设计并合成了一系列β-羟基苯基膦硼烷衍生物，并研究了它们的结构-性质和结构-活性关系。合成的β-苯基膦硼烷衍生物在水性介质中表现出足够的稳定性，疏水性比相应的烷烃和硅烷弱，并且对脂质膜具有足够的亲和力以实现通透性。几种β-羟基苯基膦硼烷衍生物表现出显著的雌激素受体（ER）激动活性，具有优异的配体-亲脂性效率（LLE）。膦硼烷骨架似乎是药物发现研究中结构开发的一个有前景的选择。
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