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Computer Aided Drug Design and its Application to the Development of Potential Drugs for Neurodegenerative Disorders

机译：计算机辅助药物设计及其在神经退行性疾病潜在药物开发中的应用

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Background Neurodegenerative disorders (NDs) are diverse group of disorders characterized by escalating loss of neurons (structural and functional). The development of potential therapeutics for NDs presents an important challenge, as traditional treatments are inefficient and usually are unable to stop or retard the process of neurodegeneration. Computer-Aided Drug Design (CADD) has emerged as an efficient means of developing candidate drugs for the treatment of many disease types. Applications of CADD approach to drug discovery are progressing day by day. The recent tendency in drug design is to rationally design potent therapeutics with multi-targeting effects, higher efficacies, and fewer side effects, especially in terms of toxicity. Methods A wide literature search was performed for writing this review. An updated view on different types of NDs, their effect on human population and a brief introduction to CADD, various approaches involved in this technique, ranging from structural-based to ligand-based drug design has been discussed. The successful application of CADD approaches for the treatment of neurodegenerative disorders is also included in this review. Results In this review, we have briefly described about CADD and its use in the development of the therapeutic drug candidates against NDs. The successful applications, limitations and future prospects of this approach have also been discussed. Conclusion CADD can assist researchers studying interactions between drugs and receptors. We believe this review will be helpful for better understanding of CADD and its applications towards the discovery of new drug candidates against various fatal NDs.
机译：背景技术神经退行性疾病（NDs）是多种疾病，其特征在于神经元的丧失（结构性和功能性）逐步升级。 NDs潜在疗法的发展提出了一个重要的挑战，因为传统疗法效率低下，通常无法停止或延缓神经变性过程。计算机辅助药物设计（CADD）已经成为开发用于治疗多种疾病类型的候选药物的有效手段。 CADD方法在药物发现中的应用正在日新月异。药物设计的最新趋势是合理设计具有多靶点作用，更高的疗效和更少的副作用（特别是在毒性方面）的有效疗法。方法进行了广泛的文献检索以撰写本评价。讨论了不同类型ND的更新观点，它们对人群的影响以及CADD的简介，该技术涉及的各种方法，从基于结构的药物到基于配体的药物设计，都已经讨论过。该评价还包括CADD方法在神经退行性疾病治疗中的成功应用。结果在本综述中，我们简要介绍了CADD及其在开发针对ND的候选治疗药物中的用途。还讨论了这种方法的成功应用，局限性和未来前景。结论CADD可协助研究人员研究药物与受体之间的相互作用。我们认为，这次审查将有助于更好地了解CADD及其在发现针对各种致命性ND的候选新药方面的应用。

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