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- Zhu, Xiao-Lei, et al. Show all 8 Authors
- Journal of agricultural and food chemistry 2016 v.64 no.24 pp. 4830-4837
- Thanatephorus cucumeris; binding proteins; cytochrome c; drugs; fungicides; molecular models; screening; swine
- ... Succinate-ubiquinone oxidoreductase (SQR) is an attractive target for fungicide discovery. Herein, we report the discovery of novel SQR inhibitors using a pharmacophore-linked fragment virtual screening approach, a new drug design method developed in our laboratory. Among newly designed compounds, compound 9s was identified as the most potent inhibitor with a Ki value of 34 nM against porcine SQR, ...
- Zhu, Xiao-Lei, et al. Show all 9 Authors
- Journal of the American Chemical Society 2012 v.134 no.27 pp. 11168-11176
- binding capacity; chickens; crystal structure; cytochrome c; drugs; fungicides; membrane proteins; screening; swine; ubiquinol-cytochrome-c reductase
- ... A critical challenge to the fragment-based drug discovery (FBDD) is its low-throughput nature due to the necessity of biophysical method-based fragment screening. Herein, a method of pharmacophore-linked fragment virtual screening (PFVS) was successfully developed. Its application yielded the first picomolar-range Qₒ site inhibitors of the cytochrome bc₁ complex, an important membrane protein for ...