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100 uL * 10 mM (in DMSO) EUR 5237
5237€


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Anti-COVID-19 compound library (CADD)

Product name
Anti-COVID-19 compound library (CADD)
Catalog number
L1711-100uL*10mM(inDMSO) (100 uL * 10 mM (in DMSO))
Description
TargetMol applied Swiss-Model homology modeling to build all possible protein structures, including viral papain like protease (PLpro), main protease (3CLpro, also named 3-chymotrypsin-like protease), RNA-dependent RNA polymerase (RdRp), nsp16 (2'-O-methyltransferase, helicase), and RBD of Spike, etc. Further, we used these proteins and human ACE2 as targets to screen TargetMol libraries (7729 compounds) and Bioactive compound library (7647 compounds) by using Surflex-Dock in the Sybyl-X 2.0 package. To improve the virtual screening efficiency and reliability, we took three rounds of screening: 2 rounds of molecular docking virtual screening plus 1 round of manual screening. Finally, 238 compounds were selected into this library: Anti-COVID-19 compound library (CADD). These compounds have been widely reported in the literature to have the potential of anti-cancer, anti-bacterial, anti-inflammation, or anti-oxidation activity; or have other potential targets. 
Source
Target Mol
Product category
Molecules
Product sub category
Libraries
Shipment info
Dry Ice
Nacres Codification
NA.28

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