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Papers of the Week

Papers: 16 Nov 2019 - 22 Nov 2019

Pharmacology/Drug Development

2020 Jan 15

Bioorg Med Chem Lett



Virtual screening to identify potent sepiapterin reductase inhibitors.


Gao H, Schneider S, Andrews P, Wang K, Huang X, Sparling BA
Bioorg Med Chem Lett. 2020 Jan 15; 30(2):126793.
PMID: 31740247.


Sepiapterin reductase has been identified as a potential drug target for neuropathic and inflammatory pain. Virtual screening was executed against a publicly available x-ray crystal structure of sepiapterin reductase. A set of structurally diverse and potent sepiapterin reductase inhibitors was identified. This set of compounds with favorable ligand efficiency and lipophilic efficiency are tractable for further optimization. An SAR follow-up library was synthesized based on one of the virtual screening hits exploring SAR.