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Fragment-to-Lead Medicinal Chemistry Publications in 2020

[Image: see text] Fragment-based drug discovery (FBDD) continues to evolve and make an impact in the pharmaceutical sciences. We summarize successful fragment-to-lead studies that were published in 2020. Having systematically analyzed annual scientific outputs since 2015, we discuss trends and best...

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Autores principales: de Esch, Iwan J. P., Erlanson, Daniel A., Jahnke, Wolfgang, Johnson, Christopher N., Walsh, Louise
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8762670/
https://www.ncbi.nlm.nih.gov/pubmed/34928151
http://dx.doi.org/10.1021/acs.jmedchem.1c01803
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author de Esch, Iwan J. P.
Erlanson, Daniel A.
Jahnke, Wolfgang
Johnson, Christopher N.
Walsh, Louise
author_facet de Esch, Iwan J. P.
Erlanson, Daniel A.
Jahnke, Wolfgang
Johnson, Christopher N.
Walsh, Louise
author_sort de Esch, Iwan J. P.
collection PubMed
description [Image: see text] Fragment-based drug discovery (FBDD) continues to evolve and make an impact in the pharmaceutical sciences. We summarize successful fragment-to-lead studies that were published in 2020. Having systematically analyzed annual scientific outputs since 2015, we discuss trends and best practices in terms of fragment libraries, target proteins, screening technologies, hit-optimization strategies, and the properties of hit fragments and the leads resulting from them. As well as the tabulated Fragment-to-Lead (F2L) programs, our 2020 literature review identifies several trends and innovations that promise to further increase the success of FBDD. These include developing structurally novel screening fragments, improving fragment-screening technologies, using new computer-aided design and virtual screening approaches, and combining FBDD with other innovative drug-discovery technologies.
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spelling pubmed-87626702022-01-18 Fragment-to-Lead Medicinal Chemistry Publications in 2020 de Esch, Iwan J. P. Erlanson, Daniel A. Jahnke, Wolfgang Johnson, Christopher N. Walsh, Louise J Med Chem [Image: see text] Fragment-based drug discovery (FBDD) continues to evolve and make an impact in the pharmaceutical sciences. We summarize successful fragment-to-lead studies that were published in 2020. Having systematically analyzed annual scientific outputs since 2015, we discuss trends and best practices in terms of fragment libraries, target proteins, screening technologies, hit-optimization strategies, and the properties of hit fragments and the leads resulting from them. As well as the tabulated Fragment-to-Lead (F2L) programs, our 2020 literature review identifies several trends and innovations that promise to further increase the success of FBDD. These include developing structurally novel screening fragments, improving fragment-screening technologies, using new computer-aided design and virtual screening approaches, and combining FBDD with other innovative drug-discovery technologies. American Chemical Society 2021-12-20 2022-01-13 /pmc/articles/PMC8762670/ /pubmed/34928151 http://dx.doi.org/10.1021/acs.jmedchem.1c01803 Text en © 2021 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by-nc-nd/4.0/Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle de Esch, Iwan J. P.
Erlanson, Daniel A.
Jahnke, Wolfgang
Johnson, Christopher N.
Walsh, Louise
Fragment-to-Lead Medicinal Chemistry Publications in 2020
title Fragment-to-Lead Medicinal Chemistry Publications in 2020
title_full Fragment-to-Lead Medicinal Chemistry Publications in 2020
title_fullStr Fragment-to-Lead Medicinal Chemistry Publications in 2020
title_full_unstemmed Fragment-to-Lead Medicinal Chemistry Publications in 2020
title_short Fragment-to-Lead Medicinal Chemistry Publications in 2020
title_sort fragment-to-lead medicinal chemistry publications in 2020
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8762670/
https://www.ncbi.nlm.nih.gov/pubmed/34928151
http://dx.doi.org/10.1021/acs.jmedchem.1c01803
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