Significance of Virtual screening
Virtual screening is a computational approach utilized in drug discovery to identify potential drug candidates by simulating interactions between compounds and biological targets. This method evaluates large libraries of compounds, predicting their binding affinities and interactions with specific targets. By employing techniques such as docking studies, virtual screening helps filter vast chemical spaces to find the most promising candidates for further testing. Ultimately, it streamlines the drug development process by rapidly assessing which compounds may have drug-like properties.
Synonyms: In silico screening, Computational screening
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The concept of Virtual screening in scientific sources
Virtual screening is a computational process that assesses large compound libraries to pinpoint potential drug candidates by predicting their interactions with target proteins, aiding in the identification of compounds likely to bind effectively.
From: World Journal of Pharmaceutical Research
(1) A computational technique employed to evaluate and prioritize compounds based on their predicted interactions with a target.[1] (2) A computational technique used to identify potential drug-like inhibitors based on their interaction with biological targets.[2] (3) An in silico process used in drug discovery to identify potential drug candidates from large libraries of compounds.[3] (4) Virtual screening is a computational approach used to evaluate method parameters and performance in analytical method development.[4] (5) A computational method used to identify potential drug candidates from a large library of compounds by simulating molecular interactions.[5]
From: Journal of Ayurveda and Integrative Medicine
(1) A computational technique used to evaluate and identify potent compounds from large libraries that can potentially interact with specific biological targets.[6]