Medicines Research Centre, GlaxoSmithKline R&D, Stevenage, United Kingdom.
GlaxoSmithKline, Paris, France.
J Invest Dermatol. 2021 Sep;141(9):2272-2279. doi: 10.1016/j.jid.2021.01.029. Epub 2021 Mar 18.
Regulation of proteolytic activity in the skin plays a pivotal role in epidermal homeostasis. This is best exemplified in Netherton syndrome, a severe genetic skin condition caused by loss-of-function mutations in the gene serine protease inhibitor Kazal-type 5 encoding lympho-epithelial Kazal-type-related inhibitor, a serine protease inhibitor that regulates kallikrein (KLK)-related peptidase 5, 7, and 14 activities. KLK5 plays a central role in stratum corneum shedding and inflammatory cell signaling, activates KLK7 and KLK14, and is therefore an optimal therapeutic target. We aimed to identify a potent and selective small-molecule inhibitor of KLK5 amenable to epidermal delivery. GSK951 was identified using a structure-based design strategy and showed a half maximal inhibitory concentration of 250 pM for KLK5 and greater than 100-fold selectivity over KLK7 and KLK14. Cocrystal structure analysis identified the critical catalytic site interactions to a surrogate for KLK5. Topical application of GSK951-containing cream inhibited KLK5 activity in TgKLK5 mouse skin, reduced transepidermal water loss, and decreased proinflammatory cytokine expression. GSK951 achieved high concentrations in healthy human epidermis following topical application in a cream formulation. Finally, KLK5 protease activity was increased in stratum corneum of patients with Netherton syndrome and significantly inhibited by GSK951. These findings unveil a KLK5-specific small-molecule inhibitor with a high therapeutic potential for patients with Netherton syndrome.
蛋白酶活性的调控在皮肤表皮稳态中起着关键作用。这在 Netherton 综合征中表现得最为明显, Netherton 综合征是一种严重的遗传性皮肤疾病,由丝氨酸蛋白酶抑制剂 Kazal 型 5 基因(编码淋巴上皮 Kazal 型相关抑制剂)功能丧失性突变引起,该基因编码的丝氨酸蛋白酶抑制剂调节 Kallikrein(KLK)相关肽酶 5、7 和 14 的活性。KLK5 在角质层脱落和炎症细胞信号传导中起着核心作用,激活 KLK7 和 KLK14,因此是一个理想的治疗靶点。我们旨在鉴定一种能够用于表皮递送的 KLK5 有效且选择性的小分子抑制剂。使用基于结构的设计策略鉴定出 GSK951,其对 KLK5 的半数最大抑制浓度为 250 pM,对 KLK7 和 KLK14 的选择性大于 100 倍。共晶结构分析确定了关键的催化位点相互作用,为 KLK5 的替代物。含有 GSK951 的乳膏局部应用抑制了 TgKLK5 小鼠皮肤中的 KLK5 活性,减少了经表皮水分流失,并降低了促炎细胞因子的表达。在乳膏配方中局部应用后,GSK951 能够在健康的人表皮中达到高浓度。最后, Netherton 综合征患者的角质层中 KLK5 蛋白酶活性增加,并且被 GSK951 显著抑制。这些发现揭示了一种具有高治疗潜力的 KLK5 特异性小分子抑制剂,可用于 Netherton 综合征患者。