Complexes of antibiotics with metal ions draw attention of scientists looking for new drugs as well as those endeavoring to increase the activity of antibiotics that are currently in use. The bioactivity of antibiotics can be increased by coordination of metal ion. Moreover, such complexes allow for reduction of drug’s dose introduced into the body and improve their bioavailability. In order to study the antimicrobial effect of antibiotics-metal complexes, it is necessary to properly determine their structure and physicochemical properties. Therefore, the selection of appropriate research methods plays a crucial role in a comprehensive understanding and prediction of metallopharmaceuticals’ activity. The electronic structure and spatial structure of antibiotic-metal complexes, their stability, ligands’ donor atoms, acid-base properties, lipophilicity and most preferable binding sites to the biomolecules are essential features of this type of compounds. This review delineates the collection of available tools and methods necessary for an exhaustive analysis of metallopharmaceuticals.

抗生素与金属离子的复合物吸引了寻找新药以及努力提高目前正在使用的抗生素活性的科学家的注意力。可以通过金属离子的配合来提高抗生素的生物活性。此外，此类复合物可减少引入人体的药物剂量并提高其生物利用度。为了研究抗生素-金属配合物的抗菌作用，有必要适当确定其结构和理化性质。因此，选择合适的研究方法在全面理解和预测金属药物活性中起着至关重要的作用。抗生素-金属配合物的电子结构和空间结构，其稳定性，配体的供体原子，酸碱性质，亲脂性和最优选的与生物分子的结合位点是这类化合物的基本特征。这篇综述描述了详尽分析金属药物所必需的可用工具和方法的集合。