NHPyOx as a Chem-Bio Model for the Synergistic Discovery of Novel Ligands Facilitating Pharmaceutical Science

Juan Yang; Jixing Lai; Shengxin Sun; Weixing Li; Shengkun Li

doi:10.26434/chemrxiv-2022-lw3s9

Organic Chemistry

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NHPyOx as a Chem-Bio Model for the Synergistic Discovery of Novel Ligands Facilitating Pharmaceutical Science

Working Paper

Juan Yang Laboratory Breeding Base of Green Pesticide and Agricultural Bioengineering, Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Guizhou University, Huaxi District, Guiyang 550025, China. ,
Jixing Lai Laboratory Breeding Base of Green Pesticide and Agricultural Bioengineering, Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Guizhou University, Huaxi District, Guiyang 550025, China. ,
Shengxin Sun Laboratory Breeding Base of Green Pesticide and Agricultural Bioengineering, Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Guizhou University, Huaxi District, Guiyang 550025, China. ,
Weixing Li Laboratory Breeding Base of Green Pesticide and Agricultural Bioengineering, Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Guizhou University, Huaxi District, Guiyang 550025, China. ,
Shengkun Li Laboratory Breeding Base of Green Pesticide and Agricultural Bioengineering, Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Guizhou University, Huaxi District, Guiyang 550025, China.

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Abstract

Amino-pyridine-oxazoline (NH-PyOx) was conceived as a proof-of-concept of a chem-bio model (CBM) for function-oriented synergistic optimization. It culminated in the discovery of novel ligands showing much better performance in Hayashi-Miyaura coupling or antifungal performance than that of PyOx and boscalid, respectively.