DTIP: A comparative analytical framework for chemogenomic drug-target interactions prediction

Author(s):  
Faraneh Haddadi ◽  
Mohammad Reza Keyvanpour

Background: Prediction of drug-target interactions is an essential step in drug discovery. Given a drug-target interactions network, the objective of this task is to predict probable missing edges from known interactions. Computationally predicting drug-target interactions is an appropriate alternative for the time-consuming and the costly experimental process of drug-target interaction prediction. A large number of computational methods for solving this problem have been proposed in recent years. Objective: In recent years, several review articles have been published in the field of drug-target interactions prediction. Compared to other review articles, this paper includes a qualitative analysis in the form of a framework, drug-target interactions prediction (DTIP) framework. Method: The framework consists of three sections. Initially, a classification has been presented for drug-target interactions prediction methods based on the link prediction approaches used in these approaches. Secondly, general evaluation criteria have been introduced for analyzing approaches. Finally, a qualitative comparison is made between each approach in terms of their advantages and disadvantages. Results: By providing a new classification of the drug-target interactions prediction approaches and comparing them with the proposed evaluation criteria, this framework provides a convenient and efficient way to select and compare the methods. Also, using the framework, we can improve these techniques further. Conclusion: This paper provides a study to select, compare, and improve chemogenomic drug-target interactions prediction methods. To this aim, an analytical framework is presented.

2018 ◽  
Vol 10 (10) ◽  
pp. 3401 ◽  
Author(s):  
Tianxiao Zhou ◽  
Rong Tan ◽  
Thomas Sedlin

Because major transportation infrastructure projects (MTIPs) have significant effects for a sustainable development, the planning modes used for these projects have been a popular topic among scholars and policy makers. However, detailed descriptions and comparisons of planning modes in different countries are still rare. Therefore, this paper first provides a simple analytical framework based on the elements of the planning goal, the planning process, the planning result and the evaluation criteria. Focusing on the hierarchic mode adopted in China, and the democratic participatory mode adopted in Germany, the governance practices used in MTIP planning are clearly shown. Furthermore, by using two airport cases, this paper compares the differences between China and Germany in the realms of preparation, review, coordination, final approval, and planning performance. The main conclusions are: (1) The analytical approach presented in this paper provides an appropriate standard for describing and comparing planning modes for MTIPs; (2) the planning modes in the two countries each have advantages and disadvantages, reflecting the trade-off between ex ante and ex post costs; (3) the comparison between China and Germany may be instructive for both of these countries and for other countries in terms of improving their planning performance in the future.


2019 ◽  
Vol 20 (3) ◽  
pp. 194-202 ◽  
Author(s):  
Wen Zhang ◽  
Weiran Lin ◽  
Ding Zhang ◽  
Siman Wang ◽  
Jingwen Shi ◽  
...  

Background:The identification of drug-target interactions is a crucial issue in drug discovery. In recent years, researchers have made great efforts on the drug-target interaction predictions, and developed databases, software and computational methods.Results:In the paper, we review the recent advances in machine learning-based drug-target interaction prediction. First, we briefly introduce the datasets and data, and summarize features for drugs and targets which can be extracted from different data. Since drug-drug similarity and target-target similarity are important for many machine learning prediction models, we introduce how to calculate similarities based on data or features. Different machine learningbased drug-target interaction prediction methods can be proposed by using different features or information. Thus, we summarize, analyze and compare different machine learning-based prediction methods.Conclusion:This study provides the guide to the development of computational methods for the drug-target interaction prediction.


2021 ◽  
Vol 22 ◽  
Author(s):  
Harshita Bhargava ◽  
Amita Sharma ◽  
Prashanth Suravajhala

: The drug discovery process has been a crucial and cost-intensive process. This cost is not only monetary but also involves risks, time, and labour that are incurred while introducing a drug in the market. In order to reduce this cost and the risks associated with the drugs that may result in severe side effects, the in silico methods have gained popularity in recent years. These methods have had a significant impact on not only drug discovery but also the related areas such as drug repositioning, drug-target interaction prediction, drug side effect prediction, personalised medicine, etc. Amongst these research areas predicting interactions between drugs and targets forms the basis for drug discovery. The availability of big data in the form of bioinformatics, genetic databases, along with computational methods, have further supported data-driven decision-making. The results obtained through these methods may be further validated using in vitro or in vivo experiments. This validation step can further justify the predictions resulting from in silico approaches, further increasing the accuracy of the overall result in subsequent stages. A variety of approaches are used in predicting drug-target interactions, including ligand-based, molecular docking based and chemogenomic-based approaches. This paper discusses the chemogenomic methods, considering drug target interaction as a classification problem on whether or not an interaction between a particular drug and target would serve as a basis for understanding drug discovery/drug repositioning. We present the advantages and disadvantages associated with their application.


Author(s):  
Maryam Bagherian ◽  
Elyas Sabeti ◽  
Kai Wang ◽  
Maureen A Sartor ◽  
Zaneta Nikolovska-Coleska ◽  
...  

Abstract The task of predicting the interactions between drugs and targets plays a key role in the process of drug discovery. There is a need to develop novel and efficient prediction approaches in order to avoid costly and laborious yet not-always-deterministic experiments to determine drug–target interactions (DTIs) by experiments alone. These approaches should be capable of identifying the potential DTIs in a timely manner. In this article, we describe the data required for the task of DTI prediction followed by a comprehensive catalog consisting of machine learning methods and databases, which have been proposed and utilized to predict DTIs. The advantages and disadvantages of each set of methods are also briefly discussed. Lastly, the challenges one may face in prediction of DTI using machine learning approaches are highlighted and we conclude by shedding some lights on important future research directions.


2020 ◽  
Vol 21 (10) ◽  
pp. 1011-1026
Author(s):  
Bruna O. Costa ◽  
Marlon H. Cardoso ◽  
Octávio L. Franco

: Aminoglycosides and β-lactams are the most commonly used antimicrobial agents in clinical practice. This occurs because they are capable of acting in the treatment of acute bacterial infections. However, the effectiveness of antibiotics has been constantly threatened due to bacterial pathogens producing resistance enzymes. Among them, the aminoglycoside-modifying enzymes (AMEs) and β-lactamase enzymes are the most frequently reported resistance mechanisms. AMEs can inactivate aminoglycosides by adding specific chemical molecules in the compound, whereas β-lactamases hydrolyze the β-lactams ring, preventing drug-target interaction. Thus, these enzymes provide a scenario of multidrug-resistance and a significant threat to public health at a global level. In response to this challenge, in recent decades, several studies have focused on the development of inhibitors that can restore aminoglycosides and β-lactams activity. In this context, peptides appear as a promising approach in the field of inhibitors for future antibacterial therapies, as multiresistant bacteria may be susceptible to these molecules. Therefore, this review focused on the most recent findings related to peptide-based inhibitors that act on AMEs and β-lactamases, and how these molecules could be used for future treatment strategies.


2013 ◽  
Vol 13 (14) ◽  
pp. 1636-1649 ◽  
Author(s):  
Esvieta Tenorio-Borroto ◽  
Xerardo Garcia-Mera ◽  
Claudia Penuelas-Rivas ◽  
Juan Vasquez-Chagoyan ◽  
Francisco Prado-Prado ◽  
...  

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