Systematic identification of bacterial neuraminidase inhibitors from Psoralea corylifolia using ultrafiltration-UPLC-Q-Orbitrap-MS and molecular dynamics.

Yu Jin Kim¹, Seol Jang¹, Youn-Hwan Hwang^2,3

¹KM Convergence Research Division, Korea Institute of Oriental Medicine, Daejeon, Republic of Korea.

²Research Infrastructure Team, Korea Institute of Oriental Medicine, Daejeon, Republic of Korea.

³Korean Convergence Medical Science Major, KIOM Campus, University of Science & Technology (UST), Daejeon, Republic of Korea.

PubMed PMC DOI PDF

Abstract

Bacterial neuraminidase (BNA) is a potential target for discovering anti-infective agents. Here, the BNA inhibitory activity of the ethanolic extract of Psoralea corylifolia (EEPC) was investigated using integrated experimental and computational approaches. Affinity ultrafiltration-UPLC-Q-Orbitrap-MS prioritised 11 representative constituents as putative BNA-interacting compounds. Five compounds (…

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