AIMC Topic: Molecular Targeted Therapy

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Automated design and optimization of multitarget schizophrenia drug candidates by deep learning.

European journal of medicinal chemistry Jul 12, 2020
Complex neuropsychiatric diseases such as schizophrenia require drugs that can target multiple G protein-coupled receptors (GPCRs) to modulate complex neuropsychiatric functions. Here, we report an automated system comprising a deep recurrent neural ...
Animals Automation Receptor, Serotonin, 5-HT2A Molecular Targeted Therapy Receptors, Dopamine D2 Receptor, Serotonin, 5-HT1A Drug Discovery Deep Learning Mice Schizophrenia
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Computational inference of cancer-specific vulnerabilities in clinical samples.

Genome biology Jun 29, 2020
BACKGROUND: Systematic in vitro loss-of-function screens provide valuable resources that can facilitate the discovery of drugs targeting cancer vulnerabilities.
Humans Computer Simulation Molecular Targeted Therapy Point Mutation Breast Neoplasms Deep Learning Computational Biology Models, Biological
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Insight into potent leads for alzheimer's disease by using several artificial intelligence algorithms.

Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie Jun 16, 2020
Several proteins including S-nitrosoglutathione reductase (GSNOR), complement Factor D, complement 3b (C3b) and Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK), have been demonstrated to be involved in pathogenesis pathways for Alzheimer's ...
Molecular Targeted Therapy Quantitative Structure-Activity Relationship Nootropic Agents Signal Transduction Molecular Structure Molecular Dynamics Simulation Alzheimer Disease Brain Animals Molecular Docking Simulation Drug Design Computer-Aided Design Humans Drug Discovery Artificial Intelligence Plant Extracts Cognition
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Beyond the limitation of targeted therapy: Improve the application of targeted drugs combining genomic data with machine learning.

Pharmacological research May 28, 2020
Precision oncology involves effectively selecting drugs for cancer patients and planning an effective treatment regimen. However, for Molecular targeted drug, using genomic state of the drug target to select drugs has limitations. Many patients who c...
Databases, Genetic Models, Statistical Drug Screening Assays, Antitumor Molecular Targeted Therapy Cell Line, Tumor Genomics Gene Expression Regulation, Neoplastic Signal Transduction Biomarkers, Tumor Neoplasms Antineoplastic Agents Pharmacogenetics Decision Support Techniques Precision Medicine Clinical Decision-Making Humans Machine Learning
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The emerging roles of artificial intelligence in cancer drug development and precision therapy.

Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie May 20, 2020
Artificial intelligence (AI) has strong logical reasoning ability and independent learning ability, which can simulate the thinking process of the human brain. AI technologies such as machine learning can profoundly optimize the existing mode of anti...
Antigens, Neoplasm Signal Transduction Drug Development Drug Resistance, Neoplasm Animals Neoplasms Antineoplastic Agents Immunotherapy Molecular Targeted Therapy Radiotherapy, Computer-Assisted Humans Artificial Intelligence Precision Medicine Clinical Decision-Making
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Similarity-Based Methods and Machine Learning Approaches for Target Prediction in Early Drug Discovery: Performance and Scope.

International journal of molecular sciences May 19, 2020
Computational methods for predicting the macromolecular targets of drugs and drug-like compounds have evolved as a key technology in drug discovery. However, the established validation protocols leave several key questions regarding the performance a...
Drug Discovery Knowledge Bases Molecular Targeted Therapy Machine Learning Reproducibility of Results
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Combination Strategies for Immune-Checkpoint Blockade and Response Prediction by Artificial Intelligence.

International journal of molecular sciences Apr 19, 2020
The therapeutic concept of unleashing a pre-existing immune response against the tumor by the application of immune-checkpoint inhibitors (ICI) has resulted in long-term survival in advanced cancer patient subgroups. However, the majority of patients...
Immune Checkpoint Inhibitors Artificial Intelligence Immunotherapy Humans Biomarkers, Tumor Cancer Vaccines Antineoplastic Agents, Immunological Animals Treatment Outcome Combined Modality Therapy Neoplasms Molecular Targeted Therapy T-Lymphocyte Subsets
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Identification of herbal categories active in pain disorder subtypes by machine learning help reveal novel molecular mechanisms of algesia.

Pharmacological research Apr 8, 2020
Chronic pain is highly prevalent and poorly controlled, of which the accurate underlying mechanisms need be further elucidated. Herbal drugs have been widely used for controlling various pain disorders. The systematic integration of pain herbal data ...
Humans Machine Learning Databases, Factual Animals Pain Threshold Molecular Structure Systems Integration Analgesics Chronic Pain Protein Interaction Maps Molecular Targeted Therapy Pharmacopoeias as Topic Systems Biology Plant Preparations Signal Transduction Structure-Activity Relationship
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Big data and artificial intelligence discover novel drugs targeting proteins without 3D structure and overcome the undruggable targets.

Stroke and vascular neurology Mar 29, 2020
The discovery of targeted drugs heavily relies on three-dimensional (3D) structures of target proteins. When the 3D structure of a protein target is unknown, it is very difficult to design its corresponding targeted drugs. Although the 3D structures ...
Data Mining Ligands Molecular Targeted Therapy Protein Conformation Databases, Protein Structure-Activity Relationship Molecular Structure Pharmaceutical Preparations Drug Design Drug Discovery Humans Big Data Artificial Intelligence Proteins Animals Computer-Aided Design
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Harnessing big 'omics' data and AI for drug discovery in hepatocellular carcinoma.

Nature reviews. Gastroenterology & hepatology Jan 3, 2020
Hepatocellular carcinoma (HCC) is the most common form of primary adult liver cancer. After nearly a decade with sorafenib as the only approved treatment, multiple new agents have demonstrated efficacy in clinical trials, including the targeted thera...
Cell Line, Tumor Precision Medicine Disease Models, Animal Humans Animals Liver Neoplasms Translational Research, Biomedical Artificial Intelligence Drug Discovery Carcinoma, Hepatocellular Molecular Targeted Therapy Machine Learning Antineoplastic Agents Genomics Biomarkers
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