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NMR-Fragment Based Virtual Screening: A Brief Overview
Fragment-based drug discovery (FBDD) using NMR has become a central approach over the last twenty years for development of small molecule inhibitors against biological macromolecules, to control a variety of cellular processes. Yet, several considerations should be taken into account for obtaining a...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6017141/ https://www.ncbi.nlm.nih.gov/pubmed/29370102 http://dx.doi.org/10.3390/molecules23020233 |
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author | Singh, Meenakshi Tam, Benjamin Akabayov, Barak |
author_facet | Singh, Meenakshi Tam, Benjamin Akabayov, Barak |
author_sort | Singh, Meenakshi |
collection | PubMed |
description | Fragment-based drug discovery (FBDD) using NMR has become a central approach over the last twenty years for development of small molecule inhibitors against biological macromolecules, to control a variety of cellular processes. Yet, several considerations should be taken into account for obtaining a therapeutically relevant agent. In this review, we aim to list the considerations that make NMR fragment screening a successful process for yielding potent inhibitors. Factors that may govern the competence of NMR in fragment based drug discovery are discussed, as well as later steps that involve optimization of hits obtained by NMR-FBDD. |
format | Online Article Text |
id | pubmed-6017141 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-60171412018-11-13 NMR-Fragment Based Virtual Screening: A Brief Overview Singh, Meenakshi Tam, Benjamin Akabayov, Barak Molecules Review Fragment-based drug discovery (FBDD) using NMR has become a central approach over the last twenty years for development of small molecule inhibitors against biological macromolecules, to control a variety of cellular processes. Yet, several considerations should be taken into account for obtaining a therapeutically relevant agent. In this review, we aim to list the considerations that make NMR fragment screening a successful process for yielding potent inhibitors. Factors that may govern the competence of NMR in fragment based drug discovery are discussed, as well as later steps that involve optimization of hits obtained by NMR-FBDD. MDPI 2018-01-25 /pmc/articles/PMC6017141/ /pubmed/29370102 http://dx.doi.org/10.3390/molecules23020233 Text en © 2018 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Review Singh, Meenakshi Tam, Benjamin Akabayov, Barak NMR-Fragment Based Virtual Screening: A Brief Overview |
title | NMR-Fragment Based Virtual Screening: A Brief Overview |
title_full | NMR-Fragment Based Virtual Screening: A Brief Overview |
title_fullStr | NMR-Fragment Based Virtual Screening: A Brief Overview |
title_full_unstemmed | NMR-Fragment Based Virtual Screening: A Brief Overview |
title_short | NMR-Fragment Based Virtual Screening: A Brief Overview |
title_sort | nmr-fragment based virtual screening: a brief overview |
topic | Review |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6017141/ https://www.ncbi.nlm.nih.gov/pubmed/29370102 http://dx.doi.org/10.3390/molecules23020233 |
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