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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


30


2

Virtual screening to identify potent sepiapterin reductase inhibitors.

Authors

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

Abstract

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.