Integration of virtual and physical screening

High-throughput screening (HTS) represents the dominant technique for the identification of new lead compounds in current drug discovery. It consists of physical screening (PS) of large libraries of chemicals against one or more specific biological targets. Virtual screening (VS) is a strategy for i...

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Detalles Bibliográficos
Autores principales: Fara, Dan C., Oprea, Tudor I., Prossnitz, Eric R., Bologa, Cristian G., Edwards, Bruce S., Sklar, Larry A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier Ltd. 2006
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7105924/
http://dx.doi.org/10.1016/j.ddtec.2006.11.003
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author Fara, Dan C.
Oprea, Tudor I.
Prossnitz, Eric R.
Bologa, Cristian G.
Edwards, Bruce S.
Sklar, Larry A.
author_facet Fara, Dan C.
Oprea, Tudor I.
Prossnitz, Eric R.
Bologa, Cristian G.
Edwards, Bruce S.
Sklar, Larry A.
author_sort Fara, Dan C.
collection PubMed
description High-throughput screening (HTS) represents the dominant technique for the identification of new lead compounds in current drug discovery. It consists of physical screening (PS) of large libraries of chemicals against one or more specific biological targets. Virtual screening (VS) is a strategy for in silico evaluation of chemical libraries for a given target, and can be integrated to focus the PS process. The present work addresses the integration of both PS and VS, respectively.
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spelling pubmed-71059242020-03-31 Integration of virtual and physical screening Fara, Dan C. Oprea, Tudor I. Prossnitz, Eric R. Bologa, Cristian G. Edwards, Bruce S. Sklar, Larry A. Drug Discov Today Technol Article High-throughput screening (HTS) represents the dominant technique for the identification of new lead compounds in current drug discovery. It consists of physical screening (PS) of large libraries of chemicals against one or more specific biological targets. Virtual screening (VS) is a strategy for in silico evaluation of chemical libraries for a given target, and can be integrated to focus the PS process. The present work addresses the integration of both PS and VS, respectively. Elsevier Ltd. 2006 2006-12-14 /pmc/articles/PMC7105924/ http://dx.doi.org/10.1016/j.ddtec.2006.11.003 Text en Copyright © 2006 Elsevier Ltd. All rights reserved. Since January 2020 Elsevier has created a COVID-19 resource centre with free information in English and Mandarin on the novel coronavirus COVID-19. The COVID-19 resource centre is hosted on Elsevier Connect, the company's public news and information website. Elsevier hereby grants permission to make all its COVID-19-related research that is available on the COVID-19 resource centre - including this research content - immediately available in PubMed Central and other publicly funded repositories, such as the WHO COVID database with rights for unrestricted research re-use and analyses in any form or by any means with acknowledgement of the original source. These permissions are granted for free by Elsevier for as long as the COVID-19 resource centre remains active.
spellingShingle Article
Fara, Dan C.
Oprea, Tudor I.
Prossnitz, Eric R.
Bologa, Cristian G.
Edwards, Bruce S.
Sklar, Larry A.
Integration of virtual and physical screening
title Integration of virtual and physical screening
title_full Integration of virtual and physical screening
title_fullStr Integration of virtual and physical screening
title_full_unstemmed Integration of virtual and physical screening
title_short Integration of virtual and physical screening
title_sort integration of virtual and physical screening
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7105924/
http://dx.doi.org/10.1016/j.ddtec.2006.11.003
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