Katiyar Pratima, Srivastava Aditi, Singh Chandra Mohan
School of Pharmaceutical Sciences, Chhatrapati Shahu Ji Maharaj University, Kanpur 208024, India.
Crit Rev Oncog. 2025;30(1):43-58. doi: 10.1615/CritRevOncog.2024056541.
This article provides a basic summary of computational research on benzimidazole and its molecular targets in breast cancer (BC) drug discovery. The drug development process is streamlined, expenses are decreased, and the possibility of finding successful therapies for this difficult illness is increased with the use of computational tools. The utilization of benzimidazole derivatives in medication research and discovery is discussed, along with the results of benzimidazole derivative-related clinical trials conducted against blood cancer during the previous five years. Additionally, it includes analysis of changes in structure and how they affect pharmacology. The structure-based method and other computational tools used in drug development are also covered, as well as the importance of structural information such as stereochemistry, physiological action, and the use of spectroscopic methods like NMR and X-ray crystallography in understanding the interactions between bioactive compounds and receptors. The article highlights the potential of benzimidazoles as bioactive heterocyclic molecules with various biological activities, including antimicrobial and anti-cancer properties.
本文提供了关于苯并咪唑及其在乳腺癌(BC)药物发现中的分子靶点的计算研究的基本概述。通过使用计算工具,药物开发过程得以简化,费用得以降低,并且找到针对这种难治性疾病的成功疗法的可能性得以增加。本文讨论了苯并咪唑衍生物在药物研究与发现中的应用,以及过去五年针对血癌开展的与苯并咪唑衍生物相关的临床试验结果。此外,还包括对结构变化及其如何影响药理学的分析。还涵盖了药物开发中使用的基于结构的方法和其他计算工具,以及立体化学等结构信息、生理作用,以及核磁共振(NMR)和X射线晶体学等光谱方法在理解生物活性化合物与受体之间相互作用方面的重要性。本文强调了苯并咪唑作为具有多种生物活性(包括抗菌和抗癌特性)的生物活性杂环分子的潜力。