miRNAs have been identified to play a crucial role in carcinogenesis through their binding to various regulatory proteins. One such causative molecule identified as miRNA155, which when overexpressed is responsible for carcinogenesis and also leads to telomere fragility. miRNA155 levels in the blood are used for early screening of cancer. Several anticancer drugs such as doxorubicin have been identified, which act by binding to DNA and DNA binding enzymes to check their expression levels. In this study doxorubicin and its similar compounds were used to analyze their binding with miR155 DNA for inhibition of miRNA155 synthesis and their binding energies were calculated. Based on the docking, ADME, and toxicity results Morpholinyl Doxorubicin was used for molecular dynamics studies and was identified as a potential drug candidate.

中文翻译：

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针对乳腺癌中miRNA155合成的抗癌药物的计算机筛选

通过识别miRNA与各种调节蛋白的结合，它们在致癌作用中起着至关重要的作用。一种确定为miRNA155的致病分子，当其过表达时，会导致癌变，并导致端粒易碎。血液中的miRNA155水平用于早期筛查癌症。已经确定了几种抗癌药物，例如阿霉素，它们通过与DNA和DNA结合酶结合来检查其表达水平而发挥作用。在这项研究中，阿霉素及其类似化合物被用于分析它们与miR155 DNA的结合，从而抑制miRNA155的合成，并计算了它们的结合能。根据对接，ADME和毒性结果，吗啉基阿霉素被用于分子动力学研究，并被确定为潜在的候选药物。