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Functional Genomics and Network Biology
Functional genomics and network biology have emerged as interdisciplinary fields that provide a comprehensive understanding of biological systems....
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Kinase inhibitor pulldown assay (KiP) for clinical proteomics
Protein kinases are frequently dysregulated and/or mutated in cancer and represent essential targets for therapy. Accurate quantification is...
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Identification of potential inhibitors of cholinergic and β-secretase enzymes from phytochemicals derived from Gongronema latifolium Benth leaf: an integrated computational analysis
Neurodegenerative disorders (NDDs) are associated with increased activities of the brain acetylcholinesterase (AChE), butyrylcholinesterase (BChE)...
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Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress
The folate metabolism enzyme MTHFD2 (methylenetetrahydrofolate dehydrogenase/cyclohydrolase) is consistently overexpressed in cancer but its roles...
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Systems pharmacology approach uncovers Ligustilide attenuates experimental colitis in mice by inhibiting PPARγ-mediated inflammation pathways
Inflammatory bowel disease (IBD) is a chronic idiopathic disorder causing inflammation in the gastro-intestinal tract, which is lack of effective...
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GraphsformerCPI: Graph Transformer for Compound–Protein Interaction Prediction
Accurately predicting compound–protein interactions (CPI) is a critical task in computer-aided drug design. In recent years, the exponential growth...
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Drug target inference by mining transcriptional data using a novel graph convolutional network framework
A fundamental challenge that arises in biomedicine is the need to characterize compounds in a relevant cellular context in order to reveal potential...
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Unravelling the anti-inflammatory mechanism of Allium cepa: an integration of network pharmacology and molecular docking approaches
AbstractAllium cepa , commonly known as onion, is a widely consumed spice that possesses numerous pharmacological properties. A. cepa bioactive...
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Integrated Analysis of Drug Sensitivity and Selectivity to Predict Synergistic Drug Combinations and Target Coaddictions in Cancer
High-throughput drug sensitivity testing provides a powerful phenotypic profiling approach to identify effective drug candidates for individual cell...
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From Calcium Channels to New Therapeutics
An ultimate goal of biomedical research into calcium channels is to enable better treatment of disease, most prominently through the development of...
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Artificial Intelligence in Precision Medicine: A Perspective in Biomarker and Drug Discovery
Clinical care is gradually transiting from the standard approach of “signs and symptoms” toward a more targeted approach that considerably trusts...
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Few-shot learning creates predictive models of drug response that translate from high-throughput screens to individual patients
Cell-line screens create expansive datasets for learning predictive markers of drug response, but these models do not readily translate to the clinic...
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Network-based characterization of drug-protein interaction signatures with a space-efficient approach
BackgroundCharacterization of drug-protein interaction networks with biological features has recently become challenging in recent pharmaceutical...
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Multi-target action of β-alanine protects cerebellar tissue from ischemic damage
Brain ischemic stroke is among the leading causes of death and long-term disability. New treatments that alleviate brain cell damage until blood...
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Computationally designed sensors detect endogenous Ras activity and signaling effectors at subcellular resolution
The utility of genetically encoded biosensors for sensing the activity of signaling proteins has been hampered by a lack of strategies for matching...
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Evaluation of tea (Camellia sinensis L.) phytochemicals as multi-disease modulators, a multidimensional in silico strategy with the combinations of network pharmacology, pharmacophore analysis, statistics and molecular docking
Tea ( Camellia sinensis L.) is considered as to be one of the most consumed beverages globally and a reservoir of phytochemicals with immense health...
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Quinolone scaffolds as potential drug candidates against infectious microbes: a review
Prevalence of microbial infections and new rising pathogens are signified as causative agent for variety of serious and lethal health crisis in past...
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Benchmarking causal reasoning algorithms for gene expression-based compound mechanism of action analysis
BackgroundElucidating compound mechanism of action (MoA) is beneficial to drug discovery, but in practice often represents a significant challenge....
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Structure, dynamics and lipid interactions of serotonin receptors: excitements and challenges
Serotonin (5-hydroxytryptamine, 5-HT) is an intrinsically fluorescent neurotransmitter found in organisms spanning a wide evolutionary range....
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Partial gene suppression improves identification of cancer vulnerabilities when CRISPR-Cas9 knockout is pan-lethal
BackgroundHundreds of functional genomic screens have been performed across a diverse set of cancer contexts, as part of efforts such as the Cancer...
