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


suck pdf from google scholar
unlimited free pdf from europmc33100378    free
PDF from PMC    free
html from PMC    free
PDF vom PMID33100378  :  Publisher

suck abstract from ncbi

Nephropedia Template TP Text

Twit Text FOAVip

Twit Text #

English Wikipedia

  • Synthesis, anti-bacterial evaluation, DFT study and molecular docking as a potential 3-chymotrypsin-like protease (3CLpro) of SARS-CoV-2 inhibitors of a novel Schiff bases #MMPMID33100378
  • Al-Janabi ASM; Elzupir AO; Yousef TA
  • J Mol Struct 2021[Mar]; 1228 (ä): 129454 PMID33100378show ga
  • New Schiff bases {N'-(phenyl(pyridin-2-yl)methylene) isonicotinohydrazide (L(1)H), N(1) -(naphthalen-1-yl)-N(2) -(phenyl(pyridin-2-yl) methylidene) ethane-1,2-diamine (L(2)H), N-(6-chlorobenzo[d]thiazol-2-yl)-1-phenyl-1-(pyridin-2-yl) methanimine (L(3)H)}were synthesized by reaction of 2-benzoylpyridine with different amines (2-amino-6-chlorobenzothiazole, isonicotinohydrazide and N (1)-(naphthalen-1-yl)ethane-1,2-diamine) and characterized by (1)H-NMR, (13)C-NMR, IR mass spectroscopy and elemental analysis. The compounds were assayed by the disc diffusion method for anti-bacterial against five pathogenic bacteria species (Staphylococcus aureus, Micrococcus luteus, Staphylococcus pyogenes, Bacillus subtilis, and E. coli). All prepared Schiff bases showed good activity compared to positive control (streptomycin), Moreover the L(3)H showed the highest activity against S. aureus, and M. luteus than the other compounds and streptomycin. In additional molecular docking studies with 3-chymotrypsin-like protease (3CLpro), the essential enzyme for SARS-CoV-2 proliferation. The rest of compounds have shown promising results as 3CLpro inhibitors interacting with the active sites of the enzymes. Finally, DFT 's estimated electrostatic molecular potential results were used to illustrate the molecular docking findings. The DFT calculations showed that L(3)H has the highest dipole moment and electrophilicity index. Interestingly, L(2)H of the largest energy gap E = 2.49 eV, there are several hydrophilic interactions that could facilitate the binding with the receptors. All of these parameters could be shared to significantly affect the protein sites of binding affinity with different extent.
  • ä

  • DeepDyve
  • Pubget Overpricing
  • suck abstract from ncbi

    129454 ä.1228 2021