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Related Concept Videos

Drug-Receptor Interactions01:29

Drug-Receptor Interactions

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Drug discovery is a multifaceted process involving extensive screening, testing, and optimization of lead compounds to identify potential new drugs for therapeutic use. It combines several approaches, including screening large numbers of natural products, chemical modification of known active molecules, identification of new drug targets, and rational design based on biological mechanisms and drug-receptor structure. These approaches are carried out in both academic research laboratories and...
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Drugs target macromolecules to modify ongoing cellular processes. Primary drug targets include receptors, ion channels, transporters, and enzymes.
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Drugs are chemical substances that modify biological responses by interacting with macromolecular targets such as receptors, ion channels, transporters, and enzymes. Pharmacodynamics describes the course of action of drugs leading to the physiological effect at a specific site in the body.
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The combined effects of drugs can result in various interactions, of which an important type is antagonism. Antagonism is a mechanism where one drug inhibits or counteracts the effects of another drug. Antagonism can occur through various means, including receptor binding, allosteric modulation, functional interaction, chemical reactions, and pharmacokinetic processes.
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Neurochemical transmission, the conduction of electrical impulses between neurons mediated by neurotransmitters, plays a vital role in various physiological processes. Autonomic drugs exert their effects by modulating neurotransmission within the autonomic nervous system. For instance, drugs such as hemicholinium block the precursor uptake necessary for synthesizing acetylcholine, an essential autonomic neurotransmitter. Following synthesis, neurotransmitters are stored in vesicles. Metyrosine...
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Related Experiment Video

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Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System
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Network Crosstalk as a Basis for Drug Repurposing.

Dimitri Guala1,2, Erik L L Sonnhammer1

  • 1Science for Life Laboratory, Department of Biochemistry and Biophysics, Stockholm University, Solna, Sweden.

Frontiers in Genetics
|March 30, 2022
PubMed
Summary

Systematic drug repurposing is crucial, especially for pandemics. Network crosstalk methods show promise, rivaling and sometimes outperforming current state-of-the-art techniques in drug repurposing evaluations.

Keywords:
benchmarkdrug repositioningdrug repurposingfunctional association networknetwork crosstalknetwork-basedshortest path

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Area of Science:

  • Computational Biology
  • Pharmacology
  • Bioinformatics

Background:

  • Systematic drug repurposing is increasingly important, particularly for addressing pandemics.
  • Functional interaction data enables mapping of the human interactome using functional association networks, supporting network-based drug repurposing.
  • Network crosstalk-based approaches have not been previously evaluated for drug repurposing, despite their success in pathway enrichment analysis.

Purpose of the Study:

  • To evaluate the performance of network crosstalk-based approaches for drug repurposing.
  • To develop a new benchmark for assessing network-based drug repurposing tools using updated interaction data and integration methods.
  • To compare network crosstalk-based methods against a state-of-the-art technique.

Main Methods:

  • Evaluation of top-performing network crosstalk-based approaches for drug repurposing.
  • Construction of a new benchmark for performance assessment of network-based drug repurposing tools.
  • Comparison of network crosstalk-based methods with a state-of-the-art technique using the new benchmark.

Main Results:

  • Network crosstalk-based drug repurposing methods demonstrate competitive performance.
  • These methods can rival, and in some cases, outperform the current state-of-the-art technique.
  • The newly developed benchmark facilitated a robust comparison of different network-based approaches.

Conclusions:

  • Network crosstalk-based approaches are a viable and effective strategy for drug repurposing.
  • These methods offer a promising alternative or complement to existing state-of-the-art techniques.
  • Further investigation into network crosstalk for drug discovery is warranted.