PMID- 36517668
OWN - NLM
STAT- MEDLINE
DCOM- 20221216
LR  - 20230115
IS  - 2045-2322 (Electronic)
IS  - 2045-2322 (Linking)
VI  - 12
IP  - 1
DP  - 2022 Dec 14
TI  - Brazilin from Caesalpinia sappan inhibits viral infection against PRRSV via 
      CD163(DeltaSRCR5) MARC-145 cells: an in silico and in vitro studies.
PG  - 21595
LID - 10.1038/s41598-022-26206-x [doi]
LID - 21595
AB  - 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, the binding free energy between the SRCR5 receptor was 
      - 15.71 kcal/mol based on the Poisson-Boltzmann surface area of brazilin. In 
      addition, PRRSV infection in MARC-145 cells was significantly inhibited by 
      brazilin compared to the control (virus titer, 4.10 vs. 9.25 TCID(50)/mL, 
      respectively). Moreover, brazilin successfully limited the number of PRRSV RNA 
      copies in MARC-145 cells as determined by RT-qPCR. By inhibiting the PRRSV-CD163 
      interaction with brazilin from Caesalpinia sappan, it may be possible to prevent 
      PRRSV infection in pigs, as suggested by this research.
CI  - (c) 2022. The Author(s).
FAU - Arjin, Chaiwat
AU  - Arjin C
AD  - Department of Animal and Aquatic Sciences, Faculty of Agriculture, Chiang Mai 
      University, Chiang Mai, 50200, Thailand.
FAU - Tateing, Suriya
AU  - Tateing S
AD  - Department of Plant and Soil Sciences, Faculty of Agriculture, Chiang Mai 
      University, Chiang Mai, 50200, Thailand.
FAU - Potapohn, Nuttha
AU  - Potapohn N
AD  - Department of Plant and Soil Sciences, Faculty of Agriculture, Chiang Mai 
      University, Chiang Mai, 50200, Thailand.
FAU - Arunorat, Jirapat
AU  - Arunorat J
AD  - Department of Veterinary Bioscience and Veterinary Public Health, Faculty of 
      Veterinary Medicine, Chiang Mai University, Chiang Mai, 50100, Thailand.
FAU - Pringproa, Kidsadagon
AU  - Pringproa K
AD  - Department of Veterinary Bioscience and Veterinary Public Health, Faculty of 
      Veterinary Medicine, Chiang Mai University, Chiang Mai, 50100, Thailand.
FAU - Lumsangkul, Chompunut
AU  - Lumsangkul C
AD  - Department of Animal and Aquatic Sciences, Faculty of Agriculture, Chiang Mai 
      University, Chiang Mai, 50200, Thailand.
FAU - Seel-Audom, Mintra
AU  - Seel-Audom M
AD  - Department of Animal and Aquatic Sciences, Faculty of Agriculture, Chiang Mai 
      University, Chiang Mai, 50200, Thailand.
FAU - Ruksiriwanich, Warintorn
AU  - Ruksiriwanich W
AD  - Department of Pharmaceutical Sciences, Faculty of Pharmacy, Chiang Mai 
      University, Chiang Mai, 50200, Thailand.
AD  - Cluster of Research and Development of Pharmaceutical and Natural Products 
      Innovation for Human or Animal, Chiang Mai University, Chiang Mai, 50200, 
      Thailand.
FAU - Sringarm, Korawan
AU  - Sringarm K
AD  - Department of Animal and Aquatic Sciences, Faculty of Agriculture, Chiang Mai 
      University, Chiang Mai, 50200, Thailand. korawan.s@cmu.ac.th.
AD  - Cluster of Research and Development of Pharmaceutical and Natural Products 
      Innovation for Human or Animal, Chiang Mai University, Chiang Mai, 50200, 
      Thailand. korawan.s@cmu.ac.th.
LA  - eng
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20221214
PL  - England
TA  - Sci Rep
JT  - Scientific reports
JID - 101563288
RN  - 0 (CD163 antigen)
RN  - FZ39SW1K10 (brazilin)
SB  - IM
MH  - Swine
MH  - Animals
MH  - *Porcine respiratory and reproductive syndrome virus
MH  - *Caesalpinia/chemistry
MH  - *Porcine Reproductive and Respiratory Syndrome/drug therapy
MH  - Molecular Docking Simulation
MH  - *Virus Diseases
PMC - PMC9748407
COIS- The authors declare no competing interests.
EDAT- 2022/12/15 06:00
MHDA- 2022/12/17 06:00
PMCR- 2022/12/14
CRDT- 2022/12/14 23:32
PHST- 2022/08/08 00:00 [received]
PHST- 2022/12/12 00:00 [accepted]
PHST- 2022/12/14 23:32 [entrez]
PHST- 2022/12/15 06:00 [pubmed]
PHST- 2022/12/17 06:00 [medline]
PHST- 2022/12/14 00:00 [pmc-release]
AID - 10.1038/s41598-022-26206-x [pii]
AID - 26206 [pii]
AID - 10.1038/s41598-022-26206-x [doi]
PST - epublish
SO  - Sci Rep. 2022 Dec 14;12(1):21595. doi: 10.1038/s41598-022-26206-x.