Cancer pharmacoinformatics: Databases and analytical tools

IF 3.9 4区 生物学 Q1 GENETICS & HEREDITY Functional & Integrative Genomics Pub Date : 2024-09-19 DOI:10.1007/s10142-024-01445-5
Pradnya Kamble, Prinsa R. Nagar, Kaushikkumar A. Bhakhar, Prabha Garg, M. Elizabeth Sobhia, Srivatsava Naidu, Prasad V. Bharatam
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Abstract

Cancer is a subject of extensive investigation, and the utilization of omics technology has resulted in the generation of substantial volumes of big data in cancer research. Numerous databases are being developed to manage and organize this data effectively. These databases encompass various domains such as genomics, transcriptomics, proteomics, metabolomics, immunology, and drug discovery. The application of computational tools into various core components of pharmaceutical sciences constitutes "Pharmacoinformatics", an emerging paradigm in rational drug discovery. The three major features of pharmacoinformatics include (i) Structure modelling of putative drugs and targets, (ii) Compilation of databases and analysis using statistical approaches, and (iii) Employing artificial intelligence/machine learning algorithms for the discovery of novel therapeutic molecules. The development, updating, and analysis of databases using statistical approaches play a pivotal role in pharmacoinformatics. Multiple software tools are associated with oncoinformatics research. This review catalogs the databases and computational tools related to cancer drug discovery and highlights their potential implications in the pharmacoinformatics of cancer.

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癌症药物信息学:数据库和分析工具
癌症是一个广泛的研究课题,而 omics 技术的使用已在癌症研究中产生了大量的大数据。为了有效管理和组织这些数据,人们正在开发大量数据库。这些数据库涵盖基因组学、转录组学、蛋白质组学、代谢组学、免疫学和药物发现等多个领域。将计算工具应用于制药科学的各个核心组成部分,就构成了 "药物信息学",这是合理药物发现的一个新兴范例。药物信息学的三个主要特点包括:(i) 建立假定药物和靶点的结构模型;(ii) 利用统计方法汇编数据库并进行分析;(iii) 利用人工智能/机器学习算法发现新型治疗分子。使用统计方法开发、更新和分析数据库在药物信息学中发挥着关键作用。有多种软件工具与药物信息学研究相关。本综述对与癌症药物发现相关的数据库和计算工具进行了分类,并重点介绍了它们在癌症药物信息学中的潜在影响。
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来源期刊
CiteScore
3.50
自引率
3.40%
发文量
92
审稿时长
2 months
期刊介绍: Functional & Integrative Genomics is devoted to large-scale studies of genomes and their functions, including systems analyses of biological processes. The journal will provide the research community an integrated platform where researchers can share, review and discuss their findings on important biological questions that will ultimately enable us to answer the fundamental question: How do genomes work?
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