![](images/graphics/blank.gif)
Moiety model
-
A series of N-acylhydrazone derivatives (2a–2p) containing 6-methoxy-naphthalene and acylhydrazone moieties were synthesized in good yield using microwave irradiation and developed as potential COX-2 inhibitors. Furthermore, the interactions between COX-2 and the compounds were examined in detail by molecular modeling studies such as structure–activity relationship and molecular docking performed using Gaussian 09 and Discovery Studio 3.5.
20p
langthannam
29-12-2021
8
0
Download
-
Stable isotope tracing can follow individual atoms through metabolic transformations through the detection of the incorporation of stable isotope within metabolites. This resulting data can be interpreted in terms related to metabolic flux.
12p
vicolorado2711
23-10-2020
8
1
Download
-
Various thiourea derivatives have been used as starting materials for compounds with better biological activities. Molecular modeling tools are used to explore their mechanism of action.
14p
vijiraiya2711
27-05-2020
9
1
Download
-
Protein molecular modelling and ligand docking were employed for the design of anthraquinone galactosyl-bio-mimetic dye ligands (galactosyl-mimodyes) for the target enzyme galactose dehydrogenase (GaDH). Using appro-priate modelling methodology, a GaDH model was build based on a glucose-fructose oxidoreductase (GFO) protein template.
15p
tumor12
22-04-2013
44
1
Download
-
Kinetic experiments with a substrate series of phenylacetyl-arylamides reveal that at least one polar group in the amine moiety is required for the proper orientation of the substrate in the large nucleophile-binding subsite of penicillin acylase ofEscherichia coli. Quantum mechanical molecular model-ling of enzyme–substrate interactions in the enzyme active site shows that in the case of substrates lacking local sym-metry, the productive binding implies two nonsymmetrical arrangements with respect to the two positively charged guanidinium residues of ArgA145 and ArgB263....
8p
dell39
03-04-2013
40
2
Download
CHỦ ĐỀ BẠN MUỐN TÌM
![](images/graphics/blank.gif)