Bibliographic Details
| Title: |
Exploring protein hotspots by optimized fragment pharmacophores |
| Authors: |
Dávid Bajusz, Warren S. Wade, Grzegorz Satała, Andrzej J. Bojarski, Janez Ilaš, Jessica Ebner, Florian Grebien, Henrietta Papp, Ferenc Jakab, Alice Douangamath, Daren Fearon, Frank von Delft, Marion Schuller, Ivan Ahel, Amanda Wakefield, Sándor Vajda, János Gerencsér, Péter Pallai, György M. Keserű |
| Source: |
Nature Communications, Vol 12, Iss 1, Pp 1-10 (2021) |
| Publisher Information: |
Nature Portfolio, 2021. |
| Publication Year: |
2021 |
| Collection: |
LCC:Science |
| Subject Terms: |
Science |
| More Details: |
Fragment-based drug discovery employs screening of small polar compounds typically exhibiting low affinity towards protein targets. Here, the authors combine the use of protein-based binding pharmacophores with the theory of protein hotspots to develop a design protocol for fragment libraries, called SpotXplorer, and validate their approach on common and emerging drug targets. |
| Document Type: |
article |
| File Description: |
electronic resource |
| Language: |
English |
| ISSN: |
2041-1723 |
| Relation: |
https://doaj.org/toc/2041-1723 |
| DOI: |
10.1038/s41467-021-23443-y |
| Access URL: |
https://doaj.org/article/95bb508cd6554e5ea43dd584b6c41ad1 |
| Accession Number: |
edsdoj.95bb508cd6554e5ea43dd584b6c41ad1 |
| Database: |
Directory of Open Access Journals |
