Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores

Autor:	Rebecca L. Whitehouse, Wesam S. Alwan, Olga V. Ilyichova, Ashley J. Taylor, Indu R. Chandrashekaran, Biswaranjan Mohanty, Bradley C. Doak, Martin J. Scanlon
Rok vydání:	2023
Předmět:	Pharmacology Organic Chemistry Drug Discovery Pharmaceutical Science Molecular Medicine Biochemistry
Zdroj:	RSC Medicinal Chemistry. 14:135-143
ISSN:	2632-8682
DOI:	10.1039/d2md00253a
Popis:	Small molecule interaction hotpots were identified by screening small, low complexity fragments using X-ray crystallography. These hot spots include cryptic pockets and provide pharmacophore mapping that may be used in structure-based drug design.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::3f01b5b0acd10130a5231c58e2c9e5f0 https://doi.org/10.1039/d2md00253a Zobrazit plný text záznamu