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


10.1080/07391102.2020.1845800

http://scihub22266oqcxt.onion/10.1080/07391102.2020.1845800
suck pdf from google scholar
33200681!7682386!33200681
unlimited free pdf from europmc33200681    free
PDF from PMC    free
html from PMC    free
PDF vom PMID33200681  :  Publisher

suck abstract from ncbi

pmid33200681
Nephropedia Template TP

gab.com Text

Twit Text FOAVip

Twit Text #

English Wikipedia


  • Determination of potential inhibitors based on isatin derivatives against SARS-CoV-2 main protease (m(pro)): a molecular docking, molecular dynamics and structure-activity relationship studies #MMPMID33200681
  • Badavath VN; Kumar A; Samanta PK; Maji S; Das A; Blum G; Jha A; Sen A
  • J Biomol Struct Dyn 2020[Nov]; ä (ä): 1-19 PMID33200681show ga
  • SARS-COV-2, the novel coronavirus and root of global pandemic COVID-19 caused a severe health threat throughout the world. Lack of specific treatments raised an effort to find potential inhibitors for the viral proteins. The recently invented crystal structure of SARS-CoV-2 main protease (M(pro)) and its key role in viral replication; non-resemblance to any human protease makes it a perfect target for inhibitor research. This article reports a computer-aided drug design (CADD) approach for the screening of 118 compounds with 16 distinct heterocyclic moieties in comparison with 5 natural products and 7 repurposed drugs. Molecular docking analysis against M(pro) protein were performed finding isatin linked with a oxidiazoles (A2 and A4) derivatives to have the best docking scores of -11.22 kcal/mol and -11.15 kcal/mol respectively. Structure-activity relationship studies showed a good comparison with a known active M(pro) inhibitor and repurposed drug ebselen with an IC50 value of -0.67 muM. Molecular Dynamics (MD) simulations for 50 ns were performed for A2 and A4 supporting the stability of the two compounds within the binding pocket, largely at the S1, S2 and S4 domains with high binding energy suggesting their suitability as potential inhibitors of M(pro) for SARS-CoV-2.
  • ä


  • DeepDyve
  • Pubget Overpricing
  • suck abstract from ncbi

    1 ä.ä 2020