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A new insight into mushroom tyrosinase inhibitors: docking, pharmacophore-based virtual screening, and molecular modeling studies
Five novel leads are introduced to be further optimized or directly used as potent inhibitors of mushroom tyrosinase using virtual screening and binding modes prediction according to the obtained results.
Large-scale virtual screening for the identification of new Helicobacter pylori urease inhibitor scaffolds
A structure-based virtual screening of the ZINC database by computational docking and the analysis of docking energy calculations followed by in vitro screening against H. pylori urease enzyme indicated that among the substituted 5-benzylidene barbiturates, those with para substitution have higher Urease inhibitor activities.
Development of sensitive and specific immunohistochemical assays for pro-apoptotic TRAIL-receptors
4957 Targeted induction of apoptosis is an attractive approach for development of novel oncology therapeutics. One method of inducing apoptosis is through the TRAIL-Receptor family, which has five
A new bio-compatible Cd2+-selective nanostructured fluorescent imprinted polymer for cadmium ion sensing in aqueous media and its application in bio imaging in Vero cells
Cadmium is a very toxic element found in various aqueous samples. The majority of the highly selective fluorescent ligands, designed for cadmium ion sensing, are hydrophobic compounds, thus making
Discovery of direct inhibitor of KRAS oncogenic protein by natural products: a combination of pharmacophore search, molecular docking, and molecular dynamic studies
Auriculasin, a polyphenol flavonoid, can be considered as a potential inhibitor of SOS1-KRAS interaction and seems to be a stronger anticancer than 9LI, a known inhibitor of KRAS, due to its better docking scores.
Synthesis of Some Spiro Indeno[1,2-b]pyrido[2,3-d]Pyrimidine-5,3′-Indolines as New Urease Inhibitors
New series of spiro indeno[1,2-b]pyrido[2,3-d]pyrimidine-5,3′-indolines as new urease inhibitors were synthesized by the catalytic procedure in high yield and short reaction time using biacidic carbon as a novel heterogeneous acid.