In silico assessment of moringa oleifera as an antiviral agent against the N501Y mutation in the receptor-binding domain of the spike glycoprotein of SARS-Cov-2 South African variant (B.1.351)

Clicks: 3
ID: 287206
2022
Free PDF
Article Quality & Performance Metrics
Overall Quality
Not rated
Combines reader engagement with the AI quality analysis. This article has not been analysed, so there is no overall score — reader engagement is measured and shown alongside.
AI Quality Assessment
Not analyzed
Readership in this journal
Steady

Ranked #899 of 3,757 articles by views in Malay Journal

Most read Least read

Bar heights use a square-root scale. Only the 120 most-read articles are drawn; the journal has 3,757 in total.

Mint this article as an NFT
Not yet minted

Create a permanent, verifiable on-chain record of this article on the Scimatic Network. The NFT is held in your Journament account, and you can withdraw it to your own wallet at any time.

5 SUSD one-off · no wallet required
Sign in to mint
Abstract
An in-silico method was employed to predict which of the fifteen Moringa oleifera phytocompounds would exhibit inhibitory action towards the spike glycoprotein with N501Y mutation of the SARS-CoV-2 B.1.351 variant. The phytocompounds were screened for their drug-likeness and Absorption, Distribution, Metabolism, Excretion and Toxicity (ADMET) properties. Molecular docking results from AutoDock Vina reveal that chlorogenic acid and rutin had the greatest affinity for the spike glycoprotein. (-5.2 kcal/mol), even stronger than the positive control, arbidol (-4.2 kcal/mol). The conformations were visualized and analyzed using BIOVIA Discovery Studio Visualizer. Hydrogen bonds and electrostatic and hydrophobic interactions dominated the complex. Furthermore, CABS-flex 2.0 showed that chlorogenic acid and rutin can stably bind to the spike glycoprotein based on the minimal root mean square fluctuations between the unbound and bound structures of the protein and paired t-test (p > 0.05). Results showed that chlorogenic acid and rutin compounds have promising antiviral properties that could potentially block the N501Y spike glycoprotein from binding into target human cells.
Reference Key
persistent_1760660899_68f18da3e20ad Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Virtucio, Mianne Villanueva
Journal Malay Journal
Year 2022
DOI
DOI not found
URL
https://animorepository.dlsu.edu.ph/etdb_physics/7
Keywords Keywords not found

Citations

No citations found. To add a citation, contact the admin at info@scimatic.org

Comments

No comments yet. Be the first to comment on this article.