Alarming statistics showing the continuous increase in the number of drugs and drug candidates with insufficient water-solubility focus scientist’s efforts on finding optimal strategy for their formulation. Among the current research trends aimed at improving the solubility of active pharmaceutical ingredients (APIs), amorphization gained notable attention. The replacement of a crystalline API with its amorphous counterpart provides a great opportunity to increase the drug’s bioavailability, but at the same time raises stability-related problems as amorphous APIs, from preparation to administration, are inherently driven toward crystallization. The analysis of relaxation processes in glassy and supercooled liquid states of amorphous API with molecular dynamics distributed over many decades in frequency, becomes a powerful tool for addressing many critical problems related to their successfully application. The aim of this article is to outline the contribution of molecular dynamics studies performed using broadband dielectric spectroscopy (BDS) to understanding the key properties of amorphous drugs. Since the problem of stability assessment is the most relevant, most of the article will focus on it. The following questions will be addressed: Can we predict the stability of a drug in a glassy state by measuring its dynamics in a supercooled liquid state? Can we determine the effectiveness of the stabilizer on the basis of relaxation studies? Can we accelerate somehow the stability assessment process? In addition, we will address the problem of tautomerization of amorphous APIs showing how the time-dependent analysis of dielectric response can be utilized to discern the time scale of this phenomenon. We will also briefly discuss the impact of hydrogen bonds on the dynamics of amorphous APIs, which due to their remarkable property deserve closer examination.

令人震惊的统计表明，水溶性不足的药物和候选药物的数量不断增加，这使科学家们努力寻找最佳的制剂策略。在旨在改善活性药物成分（API）溶解度的当前研究趋势中，非晶化获得了显着关注。用无定形对应物代替结晶性API提供了增加药物生物利用度的绝好机会，但同时也引起了与稳定性相关的问题，因为无定形API从制备到给药的内在驱动力都趋于结晶。分析非晶态API在玻璃态和过冷液态下的弛豫过程，其分子动力学分布在数十年的频率上，成为解决与成功应用有关的许多关键问题的强大工具。本文的目的是概述使用宽带介电谱（BDS）进行的分子动力学研究对理解无定形药物关键特性的贡献。由于稳定性评估问题是最相关的，因此本文的大部分内容都将重点放在该问题上。将解决以下问题：我们能否通过测量过冷液态的动力学来预测其在玻璃态的稳定性？我们可以基于松弛研究确定稳定剂的有效性吗？我们可以以某种方式加速稳定性评估过程吗？此外，我们将解决无定形API互变异构化的问题，该问题说明如何利用电介质响应的时间相关分析来识别这种现象的时间尺度。我们还将简要讨论氢键对无定形原料药动力学的影响，由于其非凡的性能，值得进一步研究。