Gao Y, Yuan A, Chuchuen O, Ham A, Yang K H, Katz D F
Department of Biomedical Engineering, Duke University, Room 136 Hudson Hall, Box 90281, Durham, NC, 27708, USA,
Drug Deliv Transl Res. 2015 Jun;5(3):279-94. doi: 10.1007/s13346-015-0227-1.
Gels are one of the soft material platforms being evaluated to deliver topically acting anti-HIV drugs (microbicides) to the vaginal environment. For each drug, its loaded concentration, gel properties and applied volume, and frequency of dosing can be designed to optimize PK and, thence, PD. These factors also impact user sensory perceptions and acceptability. Deterministic compartmental modeling of vaginal deployment and drug delivery achieved by test gels can help delineate how multiple parameters characterizing drug, vehicle, vaginal environment, and dosing govern details of PK and PD and also gel leakage from the canal. Such microbicide delivery is a transport process combining convection, e.g., from gel spreading along the vaginal canal, with drug diffusion in multiple compartments, including gel, mucosal epithelium, and stroma. The present work builds upon prior models of gel coating flows and drug diffusion (without convection) in the vaginal environment. It combines and extends these initial approaches in several key ways, including: (1) linking convective drug transport due to gel spreading with drug diffusion and (2) accounting for natural variations in dimensions of the canal and the site of gel placement therein. Results are obtained for a leading microbicide drug, tenofovir, delivered by three prototype microbicide gels, with a range of rheological properties. The model includes phosphorylation of tenofovir to tenofovir diphosphate (which manifests reverse transcriptase activity in host cells), the stromal concentration distributions of which are related to reference prophylactic values against HIV. This yields a computed summary measure related to gel protection ("percent protected"). Analyses illustrate tradeoffs amongst gel properties, drug loading, volume and site of placement, and vaginal dimensions, in the time and space history of gel distribution and tenofovir transport to sites of its anti-HIV action and concentrations and potential prophylactic actions of tenofovir diphosphate therein.
凝胶是正在评估的用于向阴道环境递送局部作用抗HIV药物(杀微生物剂)的软材料平台之一。对于每种药物,其负载浓度、凝胶性质、给药体积和给药频率都可以进行设计,以优化药代动力学(PK),从而优化药效动力学(PD)。这些因素也会影响使用者的感官认知和接受度。通过测试凝胶实现的阴道给药和药物递送的确定性房室模型有助于描绘出表征药物、载体、阴道环境和给药的多个参数如何控制PK和PD的细节,以及凝胶从阴道管的泄漏情况。这种杀微生物剂递送是一个运输过程,它将对流(例如凝胶沿阴道管扩散)与药物在多个房室(包括凝胶、黏膜上皮和基质)中的扩散结合起来。目前的工作建立在先前关于阴道环境中凝胶涂层流动和药物扩散(无对流)的模型基础之上。它在几个关键方面对这些初始方法进行了结合和扩展,包括:(1)将凝胶扩散引起的对流药物运输与药物扩散联系起来;(2)考虑阴道管尺寸和凝胶在其中放置位置的自然变化。研究得出了由三种具有一系列流变学性质的原型杀微生物剂凝胶递送的主要杀微生物剂药物替诺福韦的结果。该模型包括替诺福韦磷酸化为二磷酸替诺福韦(其在宿主细胞中表现出逆转录酶活性),其二磷酸替诺福韦的基质浓度分布与针对HIV的参考预防值相关。这产生了一个与凝胶保护相关的计算汇总指标(“受保护百分比”)。分析表明,在凝胶性质、药物负载、体积和放置位置以及阴道尺寸之间,在凝胶分布的时间和空间历程以及替诺福韦向其抗HIV作用部位的运输、二磷酸替诺福韦在其中的浓度和潜在预防作用方面存在权衡。