Use my Search Websuite to scan PubMed, PMCentral, Journal Hosts and Journal Archives, FullText.
Kick-your-searchterm to multiple Engines kick-your-query now !>
A dictionary by aggregated review articles of nephrology, medicine and the life sciences
Your one-stop-run pathway from word to the immediate pdf of peer-reviewed on-topic knowledge.

suck abstract from ncbi


10.1007/s11030-020-10150-x

http://scihub22266oqcxt.onion/10.1007/s11030-020-10150-x
suck pdf from google scholar
33236176!7685905!33236176
unlimited free pdf from europmc33236176    free
PDF from PMC    free
html from PMC    free

suck abstract from ncbi


Deprecated: Implicit conversion from float 219.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534

Deprecated: Implicit conversion from float 219.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534

Deprecated: Implicit conversion from float 219.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534

Deprecated: Implicit conversion from float 219.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534

Deprecated: Implicit conversion from float 219.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534

Deprecated: Implicit conversion from float 219.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534

Deprecated: Implicit conversion from float 219.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534

Deprecated: Implicit conversion from float 253.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534
pmid33236176      Mol+Divers 2021 ; 25 (3): 1745-1759
Nephropedia Template TP

gab.com Text

Twit Text FOAVip

Twit Text #

English Wikipedia


  • Computational guided identification of a citrus flavonoid as potential inhibitor of SARS-CoV-2 main protease #MMPMID33236176
  • Gogoi N; Chowdhury P; Goswami AK; Das A; Chetia D; Gogoi B
  • Mol Divers 2021[Aug]; 25 (3): 1745-1759 PMID33236176show ga
  • Although vaccine development is being undertaken at a breakneck speed, there is currently no effective antiviral drug for severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) causing COVID-19. Therefore, the present study aims to explore the possibilities offered by naturally available and abundant flavonoid compounds, as a prospective antiviral drug to combat the virus. A library of 44 citrus flavonoids was screened against the highly conserved Main Protease (M(pro)) of SARS-CoV-2 using molecular docking. The compounds which showed better CDocker energy than the co-crystal inhibitor of M(pro) were further revalidated by flexible docking within the active site; followed by assessment of drug likeness and toxicity parameters. The non-toxic compounds were further subjected to molecular dynamics simulation and predicted activity (IC(50)) using 3D-QSAR analysis. Subsequently, hydrogen bonds and dehydration analysis of the best compound were performed to assess the binding affinity to M(pro). It was observed that out of the 44 citrus flavonoids, five compounds showed lower binding energy with M(pro) than the co-crystal ligand. Moreover, these compounds also formed H-bonds with two important catalytic residues His41 and Cys145 of the active sites of M(pro). Three compounds which passed the drug likeness filter showed stable conformation during MD simulations. Among these, the lowest predicted IC(50) value was observed for Taxifolin. Therefore, this study suggests that Taxifolin, could be a potential inhibitor against SARS-CoV-2 main protease and can be further analysed by in vitro and in vivo experiments for management of the ongoing pandemic.
  • |*Drug Discovery[MESH]
  • |Citrus/*chemistry[MESH]
  • |Coronavirus 3C Proteases/*antagonists & inhibitors/chemistry/metabolism[MESH]
  • |Flavonoids/metabolism/*pharmacology[MESH]
  • |Molecular Docking Simulation[MESH]
  • |Protease Inhibitors/metabolism/*pharmacology[MESH]
  • |Protein Conformation[MESH]
  • |Quercetin/analogs & derivatives/metabolism/pharmacology[MESH]


  • DeepDyve
  • Pubget Overpricing
  • suck abstract from ncbi

    Linkout box