{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Martin JS"],"funding":["Wellcome Trust"],"pagination":["2066-2074"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC6538824"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["27(10)"],"pubmed_abstract":["Many drugs currently used are covalent inhibitors and irreversibly inhibit their targets. Most of these were discovered through serendipity. Covalent inhibitions can have many advantages from a pharmacokinetic perspective. However, until recently most organisations have shied away from covalent compound design due to fears of non-specific inhibition of off-target proteins leading to toxicity risks. However, there has been a renewed interest in covalent modifiers as potential drugs, as it possible to get highly selective compounds. It is therefore important to know how reactive a warhead is and to be able to select the least reactive warhead possible to avoid toxicity. A robust NMR based assay was developed and used to measure the reactivity of a variety of covalent warheads against serine "],"journal":["Bioorganic & medicinal chemistry"],"pubmed_title":["Characterising covalent warhead reactivity."],"pmcid":["PMC6538824"],"funding_grant_id":["203134/Z/16/Z"],"pubmed_authors":["Martin JS","MacKenzie CJ","Gilbert IH","Fletcher D"],"additional_accession":[]},"is_claimable":false,"name":"Characterising covalent warhead reactivity.","description":"Many drugs currently used are covalent inhibitors and irreversibly inhibit their targets. Most of these were discovered through serendipity. Covalent inhibitions can have many advantages from a pharmacokinetic perspective. However, until recently most organisations have shied away from covalent compound design due to fears of non-specific inhibition of off-target proteins leading to toxicity risks. However, there has been a renewed interest in covalent modifiers as potential drugs, as it possible to get highly selective compounds. It is therefore important to know how reactive a warhead is and to be able to select the least reactive warhead possible to avoid toxicity. A robust NMR based assay was developed and used to measure the reactivity of a variety of covalent warheads against serine ","dates":{"release":"2019-01-01T00:00:00Z","publication":"2019 May","modification":"2025-04-20T03:25:10.947Z","creation":"2019-07-01T13:56:14Z"},"accession":"S-EPMC6538824","cross_references":{"pubmed":["30975501"],"doi":["10.1016/j.bmc.2019.04.002"]}}