Integration of Omics Data with Machine Learning and Literature Mining: An Accurate and Fast Approach in Drug Repurposing and Comprehensive Systems Biology

A special issue of Cells (ISSN 2073-4409). This special issue belongs to the section "Cell Methods".

Deadline for manuscript submissions: closed (15 January 2023) | Viewed by 5766

Special Issue Editors


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Guest Editor
Genomics Research Platform, School of Life Sciences, College of Science, Health and Engineering, La Trobe University, Melbourne, VIC, Australia
Interests: genome analysis; bioinformatics
Special Issues, Collections and Topics in MDPI journals

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Guest Editor
Department of Medical and Life Sciences, University of Furtwangen, Neckarstrasse 1, 78056 Villingen-Schwenningen, Schwenningen, Germany
Interests: biostatistics; data science for life science; exercise; intervention; osteoporosis; sarcopenia; nutrition

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Guest Editor
1. Department of Molecular Biology and Biochemistry, University of Málaga, 29071 Málaga, Spain
2. Centro de Investigación Biomédica en Red de Enfermedades Raras (CIBERER), [Madrid, Málaga, Barcelona], Instituto de Salud Carlos III, 28029 Madrid, Spain
Interests: gene expression; PCR; genomics; gene regulation; biotechnology; bioinformatics genetics; transcription; allergic diseases

Special Issue Information

Dear Colleagues,

The development and widespread use of next-generation sequencing (NGS) technologies founded the era of big data in biology and medicine. In particular, it led to an accumulation of large-scale datasets that opened up a vast number of possible applications for data-driven methodologies. These applications range from fundamental research to clinical applications.

However, NGS-based studies usually utilized small sample sizes, and thus the results of many kinds of this research gave surprisingly low reproducibility rates in the studies that followed. Hence, the meta-analysis of available data from several studies was soon identified as the appropriate technique to obtain adequate sample sizes and optimal strength for the detection of genetic associations.

On the other hand, data-driven NGS research areas have tailored data mining technologies such as machine learning. A machine learning model, which is considered as the most crucial technology for efficient pattern discovery, can incorporate prior knowledge from different omics data. Subsequently, the models can identify hidden knowledge, patterns, and relationships in an enormous amount of NGS information.

The combination of machine learning and meta-analysis in the analysis of multiple NGS experiments simultaneously may open up a new avenue to use publicly available data to better uncover key molecular factors and their underlying mechanisms in omics studies.

Dr. Esmaeil Ebrahimie
Prof. Dr. Matthias Kohl
Dr. James Perkins
Guest Editors

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Published Papers (2 papers)

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Research

10 pages, 1993 KiB  
Article
Drepmel—A Multi-Omics Melanoma Drug Repurposing Resource for Prioritizing Drug Combinations and Understanding Tumor Microenvironment
by Zachary J. Thompson, Jamie K. Teer, Jiannong Li, Zhihua Chen, Eric A. Welsh, Yonghong Zhang, Noura Ayoubi, Zeynep Eroglu, Aik Choon Tan, Keiran S. M. Smalley and Yian Ann Chen
Cells 2022, 11(18), 2894; https://doi.org/10.3390/cells11182894 - 16 Sep 2022
Cited by 2 | Viewed by 2312
Abstract
Although substantial progress has been made in treating patients with advanced melanoma with targeted and immuno-therapies, de novo and acquired resistance is commonplace. After treatment failure, therapeutic options are very limited and novel strategies are urgently needed. Combination therapies are often more effective [...] Read more.
Although substantial progress has been made in treating patients with advanced melanoma with targeted and immuno-therapies, de novo and acquired resistance is commonplace. After treatment failure, therapeutic options are very limited and novel strategies are urgently needed. Combination therapies are often more effective than single agents and are now widely used in clinical practice. Thus, there is a strong need for a comprehensive computational resource to define rational combination therapies. We developed a Shiny app, DRepMel to provide rational combination treatment predictions for melanoma patients from seventy-three thousand combinations based on a multi-omics drug repurposing computational approach using whole exome sequencing and RNA-seq data in bulk samples from two independent patient cohorts. DRepMel provides robust predictions as a resource and also identifies potential treatment effects on the tumor microenvironment (TME) using single-cell RNA-seq data from melanoma patients. Availability: DRepMel is accessible online. Full article
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17 pages, 3287 KiB  
Article
Evaluation of the Effectiveness of Herbal Components Based on Their Regulatory Signature on Carcinogenic Cancer Cells
by Fazileh Esmaeili, Tahmineh Lohrasebi, Manijeh Mohammadi-Dehcheshmeh and Esmaeil Ebrahimie
Cells 2021, 10(11), 3139; https://doi.org/10.3390/cells10113139 - 12 Nov 2021
Cited by 5 | Viewed by 2318
Abstract
Predicting cancer cells’ response to a plant-derived agent is critical for the drug discovery process. Recently transcriptomes advancements have provided an opportunity to identify regulatory signatures to predict drug activity. Here in this study, a combination of meta-analysis and machine learning models have [...] Read more.
Predicting cancer cells’ response to a plant-derived agent is critical for the drug discovery process. Recently transcriptomes advancements have provided an opportunity to identify regulatory signatures to predict drug activity. Here in this study, a combination of meta-analysis and machine learning models have been used to determine regulatory signatures focusing on differentially expressed transcription factors (TFs) of herbal components on cancer cells. In order to increase the size of the dataset, six datasets were combined in a meta-analysis from studies that had evaluated the gene expression in cancer cell lines before and after herbal extract treatments. Then, categorical feature analysis based on the machine learning methods was applied to examine transcription factors in order to find the best signature/pattern capable of discriminating between control and treated groups. It was found that this integrative approach could recognize the combination of TFs as predictive biomarkers. It was observed that the random forest (RF) model produced the best combination rules, including AIP/TFE3/VGLL4/ID1 and AIP/ZNF7/DXO with the highest modulating capacity. As the RF algorithm combines the output of many trees to set up an ultimate model, its predictive rules are more accurate and reproducible than other trees. The discovered regulatory signature suggests an effective procedure to figure out the efficacy of investigational herbal compounds on particular cells in the drug discovery process. Full article
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