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


10.3390/molecules25235501

http://scihub22266oqcxt.onion/10.3390/molecules25235501
suck pdf from google scholar
33255326!7727661!33255326
unlimited free pdf from europmc33255326    free
PDF from PMC    free
html from PMC    free
PDF vom PMID33255326 :   free

suck abstract from ncbi

pmid33255326
Nephropedia Template TP

gab.com Text

Twit Text FOAVip

Twit Text #

English Wikipedia


  • Novel Small-Molecule Scaffolds as Candidates against the SARS Coronavirus 2 Main Protease: A Fragment-Guided in Silico Approach #MMPMID33255326
  • Augustin TL; Hajbabaie R; Harper MT; Rahman T
  • Molecules 2020[Nov]; 25 (23): ä PMID33255326show ga
  • The ongoing pandemic caused by the novel coronavirus has been the greatest global health crisis since the Spanish flu pandemic of 1918. Thus far, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has resulted in over 1 million deaths, and there is no cure or vaccine to date. The recently solved crystal structure of the SARS-CoV-2 main protease has been a major focus for drug-discovery efforts. Here, we present a fragment-guided approach using ZINCPharmer, where 17 active fragments known to bind to the catalytic centre of the SARS-CoV-2 main protease (SARS-CoV-2 M(pro)) were used as pharmacophore queries to search the ZINC databases of natural compounds and natural derivatives. This search yielded 134 hits that were then subjected to multiple rounds of in silico analyses, including blind and focused docking against the 3D structure of the main protease. We scrutinised the poses, scores, and protein-ligand interactions of 15 hits and selected 7. The scaffolds of the seven hits were structurally distinct from known inhibitor scaffolds, thus indicating scaffold novelty. Our work presents several novel scaffolds as potential candidates for experimental validation against SARS-CoV-2 M(pro).
  • |*Pandemics[MESH]
  • |COVID-19/*drug therapy/virology[MESH]
  • |Coronavirus 3C Proteases/*antagonists & inhibitors/chemistry[MESH]
  • |Humans[MESH]
  • |Molecular Docking Simulation[MESH]
  • |Molecular Dynamics Simulation[MESH]
  • |SARS-CoV-2/*chemistry/drug effects/pathogenicity[MESH]


  • DeepDyve
  • Pubget Overpricing
  • suck abstract from ncbi

    ä 23.25 2020