Brazilin from Caesalpinia sappan inhibits viral infection against PRRSV via CD163^ΔSRCR5 MARC-145 cells: an in silico and in vitro studies.

ABSTRACT: This research aimed to identify bioactive compounds from Caesalpinia sappan extract that function as novel porcine reproductive and respiratory syndrome virus (PRRSV) infection inhibitors by computational molecular screening. We obtained a set of small-molecule compounds predicted to target the scavenger receptor cysteine-rich domain 5 (SRCR5) of CD163. In addition, the functions of positive hits were assessed and verified utilizing an in vitro antiviral activity assay with PRRSV-infected MARC-145 cells. Combining molecular docking with the results of binding affinity and ligand conformation, it was found that brazilin had the highest binding energy with the SRCR5 receptor compared to catechin and epicatechin (- 5.8, - 5.5, and - 5.1 kcal/mol, respectively). In terms of molecular mechanics

SUBMITTER: Arjin C 

PROVIDER: S-EPMC9748407 | biostudies-literature | 2022 Dec

REPOSITORIES: biostudies-literature