Using protein structure and dynamics to facilitate drug discovery

Thal, David (Primary Chief Investigator (PCI))

Drug Discovery Biology

Project: Research

Status	Active
Effective start/end date	1/01/21 → 31/12/25

Keywords

G protein-coupled receptors
structural biology
X-ray crystallography
pharmacology
drug discovery

10 Article

Importance of receptor expression in the classification of novel ligands at the M₂ muscarinic acetylcholine receptor
Jiang, Y., Yeasmin, M., Gondin, A. B., Christopoulos, A., Valant, C., Burger, W. A. C. & Thal, D. M., Jul 2024, In: British Journal of Pharmacology. 181, 14, p. 2338-2350 13 p.
Research output: Contribution to journal › Article › Research › peer-review

Open Access

6 Citations (Scopus)
Design, synthesis and evaluation of novel 2-phenyl-3-(1H-pyrazol-4-yl)pyridine positive allosteric modulators for the M₄ mAChR
Jörg, M., van der Westhuizen, E. T., Lu, Y., Christopher Choy, K. H., Shackleford, D. M., Khajehali, E., Tobin, A. B., Thal, D. M., Capuano, B., Christopoulos, A., Valant, C. & Scammells, P. J., 5 Oct 2023, In: European Journal of Medicinal Chemistry. 258, 20 p., 115588.
Research output: Contribution to journal › Article › Research › peer-review

1 Citation (Scopus)
Pharmacological hallmarks of allostery at the M4 muscarinic receptor elucidated through structure and dynamics
Vuckovic, Z., Wang, J., Pham, V., Mobbs, J. I., Belousoff, M. J., Bhattarai, A., Burger, W. A. C., Thompson, G., Yeasmin, M., Nawaratne, V., Leach, K., van der Westhuizen, E. T., Khajehali, E., Liang, Y. L., Glukhova, A., Wootten, D., Lindsley, C. W., Tobin, A., Sexton, P., Danev, R., & 4 othersValant, C., Miao, Y., Christopoulos, A. & Thal, D. M., 30 May 2023, In: eLife. 12, 52 p., e83477.
Research output: Contribution to journal › Article › Research › peer-review

Open Access

12 Citations (Scopus)

Using protein structure and dynamics to facilitate drug discovery

Project Details

Keywords

Research output

Importance of receptor expression in the classification of novel ligands at the M2 muscarinic acetylcholine receptor

Design, synthesis and evaluation of novel 2-phenyl-3-(1H-pyrazol-4-yl)pyridine positive allosteric modulators for the M4 mAChR

Pharmacological hallmarks of allostery at the M4 muscarinic receptor elucidated through structure and dynamics

Importance of receptor expression in the classification of novel ligands at the M₂ muscarinic acetylcholine receptor

Design, synthesis and evaluation of novel 2-phenyl-3-(1H-pyrazol-4-yl)pyridine positive allosteric modulators for the M₄ mAChR