Lectin-like Intestinal Defensin Inhibits 2019-nCoV Spike binding to ACE2

Cheng Wang; Shaobo Wang; Daixi Li; Xia Zhao; Songling Han; Tao Wang; Gaomei Zhao; Yin Chen; Fang Chen; Jianqi Zhao; Liting Wang; Wei Sun; Yi Huang; Yongping Su; Dongqing Wei; Jinghong Zhao; Junping Wang

For deeper insights into the ACE2 blocking of HD5, we carried out a molecular dynamic simulation, in which HD5 was docked onto the LBD of ACE2. After 20 ns of simulation, the complex conformation kept stable with residue fluctuations smaller than 0.11 nm in five trajectories relative to the starting coordinates ( Figure S2A ). HD5 formed many potent H-bonds with ACE2, which average number is 5-6 and the max number is 12 in an average To validate the inhibitive effect of HD5 on 2019-nCoV S1 binding to ACE2, we further conducted a cell experiment, in which human intestinal epithelium Caco-2 cells were exposed to 8 µg/mL of 2019-nCoV S1. Confocal microscopy observed that S1 largely adhered to the cell surface in the absence of HD5 (Figure 4 , Figure S3 ). Nevertheless, when cells were author/funder. All rights reserved. No reuse allowed without permission.