Photopharmacology is a field of medicine and pharmacology that uses light to selectively activate or deactivate pharmaceutical agents. This approach significantly enhances and localizes the drug action and, therefore, reduces its side effects. Apart from the bioactive moiety, any photopharmacological compound should contain a photoactive group that must absorb light at the desired wavelength and reorganize the molecular structure after photoactivation. The design of an effective photopharmacological compound requires careful tuning of physical, chemical, and biological properties. The present review summarizes and analyzes the main approaches to the molecular design of photopharmacological drugs based on azobenzene or azoheteroarenes. The main ideas and methods used for tuning spectral and photochemical properties of compounds of this class are discussed. A comparative analysis of main computational methods for their in silico screening is carried out; the most common approaches to the synthesis of azobenzenes and azoheteroarenes derivatives are systematized. Special attention is given to the methods and approaches that are specific to the molecular design of photopharmacological compounds with required physicochemical and photochemical properties.

The bibliography includes 212 references.

光药理学是医学和药理学领域，它使用光来选择性地激活或失活药剂。这种方法显着增强和定位了药物作用，因此减少了其副作用。除了生物活性部分，任何光药学化合物都应包含一个光活性基团，该基团必须吸收所需波长的光并在光活化后重组分子结构。有效的光药学化合物的设计需要仔细调整物理、化学和生物特性。本综述总结和分析了基于偶氮苯或偶氮杂芳烃的光药学药物分子设计的主要方法。讨论了用于调整此类化合物的光谱和光化学性质的主要思想和方法。主要计算方法的比较分析进行计算机筛选；合成偶氮苯和偶氮杂芳烃衍生物的最常见方法是系统化的。特别关注具有所需物理化学和光化学特性的光药理化合物分子设计的方法和途径。

参考书目包括 212 篇参考文献。