AIMC Topic: Molecular Targeted Therapy

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Machine-Learning-Assisted Approach for Discovering Novel Inhibitors Targeting Bromodomain-Containing Protein 4.

Journal of chemical information and modeling Jul 10, 2017
Bromodomain-containing protein 4 (BRD4) is implicated in the pathogenesis of a number of different cancers, inflammatory diseases and heart failure. Much effort has been dedicated toward discovering novel scaffold BRD4 inhibitors (BRD4is) with differ...
Machine Learning Molecular Docking Simulation Drug Discovery Nuclear Proteins Drug Evaluation, Preclinical Humans Transcription Factors Molecular Targeted Therapy Protein Conformation Cell Line Cell Cycle Proteins Structure-Activity Relationship
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Literature evidence in open targets - a target validation platform.

Journal of biomedical semantics Jun 6, 2017
BACKGROUND: We present the Europe PMC literature component of Open Targets - a target validation platform that integrates various evidence to aid drug target identification and validation. The component identifies target-disease associations in docum...
Biological Ontologies Molecular Targeted Therapy Data Mining Documentation Reproducibility of Results Publications
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A novel framework for the identification of drug target proteins: Combining stacked auto-encoders with a biased support vector machine.

PloS one Apr 28, 2017
The identification of drug target proteins (IDTP) plays a critical role in biometrics. The aim of this study was to retrieve potential drug target proteins (DTPs) from a collected protein dataset, which represents an overwhelming task of great signif...
Support Vector Machine Proteins Molecular Targeted Therapy Biometry
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Drug repositioning based on triangularly balanced structure for tissue-specific diseases in incomplete interactome.

Artificial intelligence in medicine Mar 22, 2017
Finding new uses for existing drugs has become a new strategy for decades to treat more patients. Few traditional approaches consider the tissue specificities of diseases. Moreover, disease genes, drug targets and protein interaction (PPI) networks r...
Carcinoma, Hepatocellular Breast Neoplasms Drug Repositioning Drug Discovery Molecular Targeted Therapy Liver Neoplasms Humans Neural Networks, Computer Databases, Factual
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SELF-BLM: Prediction of drug-target interactions via self-training SVM.

PloS one Feb 13, 2017
Predicting drug-target interactions is important for the development of novel drugs and the repositioning of drugs. To predict such interactions, there are a number of methods based on drug and target protein similarity. Although these methods, such ...
Reproducibility of Results Protein Binding Computational Biology Humans Algorithms Receptors, G-Protein-Coupled Internet Pharmaceutical Preparations Molecular Targeted Therapy Models, Theoretical Support Vector Machine Proteins
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Machine learning and docking models for Mycobacterium tuberculosis topoisomerase I.

Tuberculosis (Edinburgh, Scotland) Jan 20, 2017
There is a shortage of compounds that are directed towards new targets apart from those targeted by the FDA approved drugs used against Mycobacterium tuberculosis. Topoisomerase I (Mttopo I) is an essential mycobacterial enzyme and a promising target...
Topoisomerase I Inhibitors Antitubercular Agents Tuberculosis Mycobacterium tuberculosis Mycobacterium smegmatis DNA Topoisomerases, Type I Molecular Targeted Therapy Protein Conformation Dose-Response Relationship, Drug Humans Structure-Activity Relationship Machine Learning Bayes Theorem Molecular Docking Simulation Computer-Aided Design Drug Design
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Preparation of arginine-glycine-aspartic acid-modified biopolymeric nanoparticles containing epigalloccatechin-3-gallate for targeting vascular endothelial cells to inhibit corneal neovascularization.

International journal of nanomedicine Dec 30, 2016
Neovascularization (NV) of the cornea can disrupt visual function, causing ocular diseases, including blindness. Therefore, treatment of corneal NV has a high public health impact. Epigalloccatechin-3-gallate (EGCG), presenting antiangiogenesis effec...
Eye Burns Oligopeptides Integrin alphaVbeta3 Corneal Neovascularization Cell Survival Humans Angiogenesis Inhibitors Burns, Chemical Catechin Animals Disease Models, Animal Human Umbilical Vein Endothelial Cells Nanoparticles Molecular Targeted Therapy Mice, Inbred C57BL Ophthalmic Solutions Hyaluronic Acid
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Linking rare and common disease: mapping clinical disease-phenotypes to ontologies in therapeutic target validation.

Journal of biomedical semantics Mar 23, 2016
BACKGROUND: The Centre for Therapeutic Target Validation (CTTV - https://www.targetvalidation.org/) was established to generate therapeutic target evidence from genome-scale experiments and analyses. CTTV aims to support the validity of therapeutic t...
Humans Rare Diseases Phenotype Reproducibility of Results Biological Ontologies Databases, Factual Data Mining Inflammatory Bowel Diseases Molecular Targeted Therapy
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A method to predict different mechanisms for blood-brain barrier permeability of CNS activity compounds in Chinese herbs using support vector machine.

Journal of bioinformatics and computational biology Oct 27, 2015
The blood-brain barrier (BBB), a highly selective barrier between central nervous system (CNS) and the blood stream, restricts and regulates the penetration of compounds from the blood into the brain. Drugs that affect the CNS interact with the BBB p...
ATP Binding Cassette Transporter, Subfamily B, Member 1 Drug Evaluation, Preclinical Central Nervous System Agents Molecular Targeted Therapy Permeability Humans Plants, Medicinal Models, Theoretical Algorithms Support Vector Machine Reproducibility of Results Medicine, Chinese Traditional Blood-Brain Barrier
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Nanorobots: Changing Trends in Cancer Therapy.

The journal of contemporary dental practice Sep 1, 2015
Humans Neoplasms Nanomedicine Molecular Targeted Therapy Robotics Biotechnology DNA Nanostructures
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