论文标题
在计算机研究中，关于卵泡途径对小分子真皮渗透性的贡献
In silico study on the contribution of the follicular route to dermal permeability of small molecules
论文作者
论文摘要
目的。这项研究调查了硅毛囊对小分子的整体真皮渗透性的贡献，因为发表的实验性工作提供了有关卵泡路线是否有利于疏水或亲水渗透性的渗透的不确定信息。方法。一项研究是对药水性，分子量和蛋白质结合等药力的物理化学参数进行了不同的。将模拟数据与已发布的实验数据进行了比较，以讨论这些特性如何调节毛囊对整体皮肤渗透的贡献。结果。结果表明，根据填充卵泡途径和渗透的物质的亲脂性/亲水性特性的结合，卵泡途径对真皮渗透的贡献范围从可忽略到值得注意的范围。结论。分析小分子真皮渗透的实验数据所必需的特征，因为由于处理样品的处理和暂停重要功能，体内和体外的变化可以改变卵泡途径对整体皮肤渗透性的贡献，从而使皮肤渗透性的贡献变化，从而使数据的贡献进行了修改，从而使数据的解释造成了损害。
Purpose. This study investigates in silico the contribution of the hair follicle to the overall dermal permeability of small molecules, as published experimental work provides inconclusive information on whether the follicular route favours the permeation of hydrophobic or hydrophilic permeants. Method. A study is conducted varying physico-chemical parameters of permeants such as lipophilicity, molecular weight and protein binding. The simulated data is compared to published experimental data to discuss how those properties can modulate the contribution of the hair follicle to the overall dermal permeation. Results. The results indicate that the contribution of the follicular route to dermal permeation can range from negligible to notable depending on the combination of lipophilic/hydrophilic properties of the substance filling the follicular route and the permeant. Conclusion. Characterisation of the substance filling the follicular route is required for analysing the experimental data of dermal permeation of small molecules, as changes between in vivo and in vitro due to handling of samples and cessation of vital functions can modify the contribution of the follicular route to overall dermal permeation, hence hindering data interpretation.
