scholarly journals An omics perspective on drug target discovery platforms

2019 ◽  
Vol 21 (6) ◽  
pp. 1937-1953 ◽  
Author(s):  
Jussi Paananen ◽  
Vittorio Fortino

Abstract The drug discovery process starts with identification of a disease-modifying target. This critical step traditionally begins with manual investigation of scientific literature and biomedical databases to gather evidence linking molecular target to disease, and to evaluate the efficacy, safety and commercial potential of the target. The high-throughput and affordability of current omics technologies, allowing quantitative measurements of many putative targets (e.g. DNA, RNA, protein, metabolite), has exponentially increased the volume of scientific data available for this arduous task. Therefore, computational platforms identifying and ranking disease-relevant targets from existing biomedical data sources, including omics databases, are needed. To date, more than 30 drug target discovery (DTD) platforms exist. They provide information-rich databases and graphical user interfaces to help scientists identify putative targets and pre-evaluate their therapeutic efficacy and potential side effects. Here we survey and compare a set of popular DTD platforms that utilize multiple data sources and omics-driven knowledge bases (either directly or indirectly) for identifying drug targets. We also provide a description of omics technologies and related data repositories which are important for DTD tasks.

2020 ◽  
Vol 21 (10) ◽  
pp. 790-803 ◽  
Author(s):  
Dongrui Gao ◽  
Qingyuan Chen ◽  
Yuanqi Zeng ◽  
Meng Jiang ◽  
Yongqing Zhang

Drug target discovery is a critical step in drug development. It is the basis of modern drug development because it determines the target molecules related to specific diseases in advance. Predicting drug targets by computational methods saves a great deal of financial and material resources compared to in vitro experiments. Therefore, several computational methods for drug target discovery have been designed. Recently, machine learning (ML) methods in biomedicine have developed rapidly. In this paper, we present an overview of drug target discovery methods based on machine learning. Considering that some machine learning methods integrate network analysis to predict drug targets, network-based methods are also introduced in this article. Finally, the challenges and future outlook of drug target discovery are discussed.


2019 ◽  
Author(s):  
Inderpreet Jalli ◽  
Sophia Lunt ◽  
Wenjia Xu ◽  
Carmen Lopez ◽  
Andreas Contreras ◽  
...  

AbstractThe antibiotic trimethoprim targets the bacterial dihydrofolate reductase enzyme and subsequently affects the entire folate network. We present an expanded mathematical model of trimethoprim’s action on the Escherichia coli folate network that greatly improves upon Kwon et al. (2008). The improvement upon the Kwon Model lends greater insight into the effects of trimethoprim at higher resolution and accuracy. More importantly, the presented mathematical model enables drug target discovery in a way the earlier model could not. Using the improved mathematical model as a scaffold, we use parameter optimization to search for new drug targets that replicate the effect of trimethoprim. We present the model and model-scaffold strategy as an efficient route for drug target discovery.


2021 ◽  
Author(s):  
Phoebe C. Parrish ◽  
James D. Thomas ◽  
Shriya Kamlapurkar ◽  
Robert K. Bradley ◽  
Alice H. Berger

2014 ◽  
Vol 13 (1) ◽  
pp. 198-204 ◽  
Author(s):  
H.M. Zhang ◽  
Z.R. Nan ◽  
G.Q. Hui ◽  
X.H. Liu ◽  
Y. Sun

2011 ◽  
Vol 76 (0) ◽  
pp. 235-246 ◽  
Author(s):  
J. D. Rabinowitz ◽  
J. G. Purdy ◽  
L. Vastag ◽  
T. Shenk ◽  
E. Koyuncu

2008 ◽  
Vol 4 (4) ◽  
pp. 186-193 ◽  
Author(s):  
Peter Williamson ◽  
Shirong Zhang ◽  
John Panepinto ◽  
Guowu Hu ◽  
Scott Waterman ◽  
...  

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