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In silico anti-viral assessment of phytoconstituents in a traditional (Siddha Medicine) polyherbal formulation – Targeting Mpro and pan-coronavirus post-fusion Spike protein

Mandal et al., Journal of Traditional and Complementary Medicine, doi:10.1016/j.jtcme.2023.07.004
Jul 2023  
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Quercetin for COVID-19
22nd treatment shown to reduce risk in July 2021
 
*, now with p = 0.0031 from 11 studies.
No treatment is 100% effective. Protocols combine treatments. * >10% efficacy, ≥3 studies.
4,300+ studies for 77 treatments. c19early.org
In Silico analysis of phytoconstituents of Kabasura Kudineer against SARS-CoV-2 spike protein and Mpro, showing that quercetin (Mpro) and gallic acid (spike) had the highest binding affinity and stability.
55 preclinical studies support the efficacy of quercetin for COVID-19:
In Silico studies predict inhibition of SARS-CoV-2, or minimization of side effects, with quercetin or metabolites via binding to the spikeA,28,48,11,31,19,13,27,14,49,30, MproB,9,23,26,31,19,13,27,12,32,50,7,49,25,34,6,4,2,1, RNA-dependent RNA polymeraseC,21, PLproD,26,34, ACE2E,11,26,12,49,30,17, TMPRSS2F,11, helicaseG,23,18, endoribonucleaseH,28, cathepsin LI,15, Wnt-3J,11, FZDK,11, LRP6L,11, ezrinM,29, ADRPN,27, NRP1O,30, EP300P,5, PTGS2Q,12, HSP90AA1R,12,5, matrix metalloproteinase 9S,20, IL-6T,10,24, IL-10U,10, VEGFAV,24, and RELAW,24 proteins. In Vitro studies demonstrate efficacy in Calu-3X,37, A549Y,10, HEK293-ACE2+Z,44, Huh-7AA,14, Caco-2AB,36, Vero E6AC,31,8,36, mTECAD,39, and RAW264.7AE,39 cells. Animal studies demonstrate efficacy in K18-hACE2 miceAF,41, db/db miceAG,39,47, BALB/c miceAH,46, and rats51. Quercetin reduced proinflammatory cytokines and protected lung and kidney tissue against LPS-induced damage in mice46.
Mandal et al., 13 Jul 2023, India, peer-reviewed, 8 authors. Contact: deepa@pilani.bits-pilani.ac.in, p20190001@pilani.bits-pilani.ac.in, p20210457@pilani.bits-pilani.ac.in, p20170101@pilani.bits-pilani.ac.in, f2016188@pilani.bits-pilani.ac.in, manoj.kannan@plaksha.edu.in, mohit.garg@pilani.bits-pilani.ac.in, murugesan@pilani.bits-pilani.ac.in.
In Silico studies are an important part of preclinical research, however results may be very different in vivo.
This PaperQuercetinAll
In silico anti-viral assessment of phytoconstituents in a traditional (Siddha Medicine) polyherbal formulation – Targeting Mpro and pan-coronavirus post-fusion Spike protein
Sumit Kumar Mandal, Md Muzaffar-Ur Rehman, Ashish Katyal, Kanishk Rajvanshi, Manoj Kannan, Mohit Garg, Sankaranarayanan Murugesan, P R Deepa
Journal of Traditional and Complementary Medicine, doi:10.1016/j.jtcme.2023.07.004
This is a PDF file of an article that has undergone enhancements after acceptance, such as the addition of a cover page and metadata, and formatting for readability, but it is not yet the definitive version of record. This version will undergo additional copyediting, typesetting and review before it is published in its final form, but we are providing this version to give early visibility of the article. Please note that, during the production process, errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain.
Conflict of Interest The authors declare no conflict of interest J o u r n a l P r e -p r o o f
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