Modular Approach for Elaborating Fragments to 3-D Lead Compounds for Drug Discovery: Bifunctional 3-D Building Blocks with Distinct 3-D Vectors

O'BRIEN, Peter (Principal investigator)

Chemistry

Project: Research project (funded) › Research

Status	Finished
Effective start/end date	1/07/19 → 30/06/23

Funding

THE ROYAL SOCIETY: £164,313.92

3 Article

X-ray Crystallography-Guided Design and Synthesis of Cyclopentyl Heteroaryl Carboxylic Acid-Based Inhibitors of the SARS-CoV-2 Nsp3 Macrodomain (Mac1)
O'Brien, P., Wang, X., Butler, W. T. W., Donald, J. R., Wang, Y., Shaw, A. L., Schuller, M., Fearon, D., Aschenbrenner, J. C., Marples, P. G., Watt, G., Lu, Y., Lucas, S. C. C., Bonomo, S., Nelson, J. E., Ahel, I. & von Delft, F., 13 Jul 2026, (E-pub ahead of print) In: JOURNAL OF MEDICINAL CHEMISTRY. 31 p.
Research output: Contribution to journal › Article › peer-review

Open Access
File
Modular Synthetic Platform for the Elaboration of Fragments in Three Dimensions for Fragment-Based Drug Discovery
O'Brien, P. A., Gomez Angel, A., Klein, H., Yao, S., Donald, J. R., Firth, J., Appiani, R., Palmer, C., Lincoln, J., Lucas, S. C. C., Fusani, L. & Ian Storer, R., 13 Aug 2025, In: Journal of the American Chemical Society. 147, 32, p. 29292–29303 12 p.
Research output: Contribution to journal › Article › peer-review

Open Access
File
α-Functionalisation of Cyclic Sulfides Enabled by Lithiation Trapping
Seling, N., Atobe, M., Kasten, K., Firth, J. D., Karadakov, P. B., Goldberg, F. W. & O'Brien, P., 8 Jan 2024, In: Angewandte Chemie International Edition. 63, 2, 7 p., e202314423.
Research output: Contribution to journal › Article › peer-review

Open Access
File

1 Invited talk

Invited Lecture, Royal Society Industry Fellows Day
O'Brien, P. A. (Invited speaker)
22 Nov 2019
Activity: Talk or presentation › Invited talk

Dataset for sulfur lithiation paper
O'Brien, P. A. (Creator), Firth, J. (Contributor), Kasten, K. (Contributor), Seling, N. (Contributor), Atobe, M. (Contributor) & Karadakov, P. B. (Supervisor), University of York, 8 Jan 2024
DOI: 10.15124/54fed6f9-e4a1-4cc5-b10b-aeb492da4043
Dataset
Data for Design, Modular Synthesis and Screening of 58 Shape-Diverse 3-D Fragments
O'Brien, P. A. (Creator), University of York, 17 Jul 2025
DOI: 10.15124/8be73bb1-2623-487e-a828-dd20e8d67131
Dataset
Data underpinning Modular Synthetic Platform for Elaboration of Fragments in Three Dimensions for Fragment-Based Drug Discovery
O'Brien, P. A. (Creator), University of York, 23 Jun 2025
DOI: 10.15124/91115136-fd90-43ce-93f9-ab678a706060
Dataset