Exploration of piperidine 3D fragment chemical space: synthesis and 3D shape analysis of fragments derived from 20 regio- and diastereoisomers of methyl substituted pipecolinates

Autor: S. Paul Jones, James D. Firth, Mary C. Wheldon, Masakazu Atobe, Roderick E. Hubbard, David C. Blakemore, Claudia De Fusco, Simon C. C. Lucas, Stephen D. Roughley, Lewis R. Vidler, Maria Ann Whatton, Alison J.-A. Woolford, Gail L. Wrigley, Peter O'Brien

Publikováno v: RSC medicinal chemistry. 13(12)

Fragment-based drug discovery is now widely adopted for lead generation in the pharmaceutical industry. However, fragment screening collections are often predominantly populated with flat, 2D molecules. Herein, we report the synthesis of piperidine-b

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::506a35ff9f31d56c1344c52cbe76d494
https://pubmed.ncbi.nlm.nih.gov/36545433

A Comparative Assessment Study of Known Small-molecule GPVI Modulators

Autor: Holly Foster, Clare Wilson, Julia S. Gauer, Rui-Gang Xu, Mark J. Howard, Iain W. Manfield, Robert Ariëns, Khalid Naseem, Lewis R. Vidler, Helen Philippou, Richard Foster

Publikováno v: ACS Med Chem Lett

[Image: see text] The GPVI platelet receptor was recently validated as a safe antiplatelet target for the treatment of thrombosis using several peptidic modulators. In contrast, few weakly potent small-molecule GPVI antagonists have been reported. Th

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3f2531592f1cfe91a9cc6e553d7f4e4b
https://europepmc.org/articles/PMC8842102/

Investigating the Behavior of Published PAINS Alerts Using a Pharmaceutical Company Data Set

Autor: David J. Cummins, Michael Brunavs, Ian A. Watson, Brandon J. Margolis, Lewis R. Vidler

Publikováno v: ACS Medicinal Chemistry Letters

Biochemical assay interference is becoming increasingly recognized as a significant waste of resource in drug discovery, both in industry and academia. A seminal publication from Baell and Holloway raised the awareness of this issue, and they publish

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0d4e0c4a53e53f16818111b29f4e548f
https://doi.org/10.1021/acsmedchemlett.8b00097

Gene-set analysis based on the pharmacological profiles of drugs to identify repurposing opportunities in schizophrenia

Autor: David A. Collier, Gerome Breen, Lewis R. Vidler, Younes Mokrab, Simone de Jong

Publikováno v: Journal of Psychopharmacology. 30:826-830

Genome-wide association studies (GWAS) have identified thousands of novel genetic associations for complex genetic disorders, leading to the identification of potential pharmacological targets for novel drug development. In schizophrenia, 108 conserv

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::41ec8a7ac5e160bf01eaec26db4bc4f0
https://doi.org/10.1177/0269881116653109

Epilepsy-associated GRIN2A mutations reduce NMDA receptor trafficking and agonist potency – molecular profiling and functional rescue

Autor: Lewis R. Vidler, Laura Addis, David A. Collier, Daniel Ursu, Jasmeet K Virdee, Deb K. Pal

Publikováno v: Scientific Reports
Scientific Reports, Vol 7, Iss 1, Pp 1-14 (2017)
Addis, L, Virdee, J K, Vidler, L R, Collier, D A, Pal, D K & Ursu, D 2017, ' Epilepsy-associated GRIN2A mutations reduce NMDA receptor trafficking and agonist potency-molecular profiling and functional rescue ', Scientific Reports, vol. 7, no. 1, 66 . https://doi.org/10.1038/s41598-017-00115-w

Mutations in the N-methyl-D-aspartate receptor (NMDAR) gene GRIN2A cause epilepsy-aphasia syndrome (EAS), a spectrum of epileptic, cognitive and language disorders. Using bioinformatic and patient data we shortlisted 10 diverse missense mutations for

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::76148071549ab5e8c9bb42c3891f085d
https://doi.org/10.1038/s41598-017-00115-w