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Antiviral effects of probiotic metabolites on COVID-19
- Source :
- Journal of Biomolecular Structure and Dynamics, Journal of Biomolecular Structure & Dynamics
- Publication Year :
- 2020
- Publisher :
- Informa UK Limited, 2020.
-
Abstract
- SARS coronavirus (COVID-19) is a real health challenge of the 21st century for scientists, health workers, politicians, and all humans that has severe cause epidemic worldwide. The virus exerts its pathogenic activity through by mechanism and gains the entry via spike proteins (S) and Angiotensin-Converting Enzyme 2 (ACE2) receptor proteins on host cells. The present work is an effort for a computational target to block the residual binding protein (RBP) on spike proteins (S), Angiotensin-Converting Enzyme 2 (ACE2) receptor proteins by probiotics namely Plantaricin BN, Plantaricin JLA-9, Plantaricin W, Plantaricin D along with RNA-dependent RNA polymerase (RdRp). Docking studies were designed in order to obtain the binding energies for Plantaricin metabolites. The binding energies for Plantaricin W were −14.64, −11.1 and −12.68 for polymerase, RBD and ACE2 respectively comparatively very high with other compounds. Plantaricin W, D, and JLA-9 were able to block the residues (THR556, ALA558) surrounding the deep grove catalytic site (VAL557) of RdRp making them more therapeutically active for COVID-19. Molecular dynamics studies further strengthen stability of the complexes of plantaricin w and SARS-CoV-2 RdRp enzyme, RBD of spike protein, and human ACE2 receptor. The present study present multi-way options either by blocking RBD on S proteins or interaction of S protein with ACE2 receptor proteins or inhibiting RdRp to counter any effect of COVID-19 by Plantaricin molecules paving a way that can be useful in the treatment of COVID-19 until some better option will be available. Communicated by Ramaswamy H. Sarma
- Subjects :
- Express Communication
030303 biophysics
RNA-dependent RNA polymerase
ACE2
Plasma protein binding
Antiviral Agents
03 medical and health sciences
chemistry.chemical_compound
Structural Biology
RNA polymerase
Humans
Receptor
Molecular Biology
Polymerase
chemistry.chemical_classification
0303 health sciences
biology
SARS-CoV-2
Binding protein
COVID-19
General Medicine
RNA dependent RNA polymerase
Enzyme
plantaricin
chemistry
Biochemistry
probiotics
Docking (molecular)
spike proteins
Spike Glycoprotein, Coronavirus
biology.protein
Protein Binding
Subjects
Details
- Language :
- English
- ISSN :
- 15380254 and 07391102
- Database :
- OpenAIRE
- Journal :
- Journal of Biomolecular Structure and Dynamics
- Accession number :
- edsair.doi.dedup.....e7dc69c6e23a08ccae56efa0e32f4366
- Full Text :
- https://doi.org/10.1080/07391102.2020.1775123