In Silico Identification of Proteins Associated with Drug‐induced Liver Injury Based on the Prediction of Drug‐target Interactions
Sign Up to like & getrecommendations! Published in 2017 at "Molecular Informatics"
DOI: 10.1002/minf.201600142
Abstract: Drug‐induced liver injury (DILI) is the leading cause of acute liver failure as well as one of the major reasons for drug withdrawal from clinical trials and the market. Elucidation of molecular interactions associated with… read more here.
Keywords: liver injury; drug induced; drug; drug target ... See more keywords
A Machine Learning Approach for Drug‐target Interaction Prediction using Wrapper Feature Selection and Class Balancing
Sign Up to like & getrecommendations! Published in 2020 at "Molecular Informatics"
DOI: 10.1002/minf.201900062
Abstract: Drug‐Target interaction (DTI) plays a crucial role in drug discovery, drug repositioning and understanding the drug side effects which helps to identify new therapeutic profiles for various diseases. However, the exponential growth in the genomic… read more here.
Keywords: dti; wrapper feature; using wrapper; target ... See more keywords
QuoteTarget: A sequence‐based transformer protein language model to identify potentially druggable protein targets
Sign Up to like & getrecommendations! Published in 2022 at "Protein Science"
DOI: 10.1002/pro.4555
Abstract: The development of efficient computational methods for drug target protein identification can compensate for the high cost of experiments and is therefore of great significance for drug development. However, existing structure‐based drug target protein‐identification algorithms… read more here.
Keywords: sequence based; drug target; drug; protein ... See more keywords
A Protocol to Use Comparative Binding Energy Analysis to Estimate Drug-Target Residence Time.
Sign Up to like & getrecommendations! Published in 2021 at "Methods in molecular biology"
DOI: 10.1007/978-1-0716-1209-5_10
Abstract: Comparative Binding Energy (COMBINE) analysis is an approach for deriving a target-specific scoring function to compute binding free energy, drug-binding kinetics, or a related property by exploiting the information contained in the three-dimensional structures of… read more here.
Keywords: residence; energy; analysis; target ... See more keywords
Linear and Kernel Model Construction Methods for Predicting Drug-Target Interactions in a Chemogenomic Framework.
Sign Up to like & getrecommendations! Published in 2018 at "Methods in molecular biology"
DOI: 10.1007/978-1-4939-8639-2_12
Abstract: Identification of drug-target interactions is a crucial process in drug discovery. In this chapter, we present protocols for recent advancements in machine learning methods for predicting drug-target interactions from heterogeneous biological data in a chemogenomic… read more here.
Keywords: kernel; target; methods predicting; drug ... See more keywords
Integrating Biological Networks for Drug Target Prediction and Prioritization.
Sign Up to like & getrecommendations! Published in 2019 at "Methods in molecular biology"
DOI: 10.1007/978-1-4939-8955-3_12
Abstract: Computational prediction of the clinical success or failure of a potential drug target for therapeutic use is a challenging problem. Novel network propagation algorithms that integrate heterogeneous biological networks are proving useful for drug target… read more here.
Keywords: network; target; biological networks; drug ... See more keywords
Computational Prediction of Drug-Target Interactions via Ensemble Learning.
Sign Up to like & getrecommendations! Published in 2019 at "Methods in molecular biology"
DOI: 10.1007/978-1-4939-8955-3_14
Abstract: Therapeutic effects of drugs are mediated via interactions between them and their intended targets. As such, prediction of drug-target interactions is of great importance. Drug-target interaction prediction is especially relevant in the case of drug… read more here.
Keywords: drug; prediction drug; drug target; target interactions ... See more keywords
KG-DTI: a knowledge graph based deep learning method for drug-target interaction predictions and Alzheimer’s disease drug repositions
Sign Up to like & getrecommendations! Published in 2022 at "Applied Intelligence"
DOI: 10.1007/s10489-021-02454-8
Abstract: Drug repositioning, which recommends approved drugs to potential targets by predicting drug-target interactions (DTIs), can save the cost and shorten the period of drug development. In this work, we propose a novel knowledge graph based… read more here.
Keywords: knowledge graph; drug; target; drug target ... See more keywords
Deep Learning-Based Potential Ligand Prediction Framework for COVID-19 with Drug–Target Interaction Model
Sign Up to like & getrecommendations! Published in 2021 at "Cognitive Computation"
DOI: 10.1007/s12559-021-09840-x
Abstract: To fight against the present pandemic scenario of COVID-19 outbreak, medication with drugs and vaccines is extremely essential other than ventilation support. In this paper, we present a list of ligands which are expected to… read more here.
Keywords: drug; list ligands; drug target; target interaction ... See more keywords
NRLMFβ: Beta-distribution-rescored neighborhood regularized logistic matrix factorization for improving the performance of drug–target interaction prediction
Sign Up to like & getrecommendations! Published in 2019 at "Biochemistry and Biophysics Reports"
DOI: 10.1016/j.bbrep.2019.01.008
Abstract: Techniques for predicting interactions between a drug and a target (protein) are useful for strategic drug repositioning. Neighborhood regularized logistic matrix factorization (NRLMF) is one of the state-of-the-art drug–target interaction prediction methods; it is based… read more here.
Keywords: beta distribution; drug; drug target; interaction ... See more keywords
Identification of new lead molecules against anticancer drug target TFIIH subunit P8 using biophysical and molecular docking studies.
Sign Up to like & getrecommendations! Published in 2021 at "Bioorganic chemistry"
DOI: 10.1016/j.bioorg.2021.105021
Abstract: The identification of molecules, which could modulate protein-protein interactions (PPIs), is of primary interest to medicinal chemists. Using biophysical methods during the current study, we have screened 76 compounds (grouped into 16 mixtures) against the… read more here.
Keywords: docking studies; molecular docking; drug target; using biophysical ... See more keywords