ABSTRACT: Quantitative structure-activity relationship (QSAR) study on the piperidone-grafted mono- and bis-spirooxindole-hexahydropyrrolizines as potent butyrylcholinestrase (BuChE) inhibitors were carried out using statistical methods, molecular dynamics and molecular docking simulation. QSAR methodologies, including classification and regression tree (CART), multiple linear regression (MLR),...

KF/Al2O3 as a green and efficient catalyst has been used for the synthesis of mono and bis pyrimidine derivatives via three-component reaction of amidines, malononitrile, and aldehydes in EtOH at reflux. The great advantage of this catalyst is the ease of handling. KF/Al2O3 can be used and removed by filtration, avoid cu...

Reversible covalent bonding is often used for the creation of novel supramolecular structures, multi-component assemblies and sensing ensembles. Despite the remarkable success of dynamic covalent systems, the reversible binding of a mono-alcohol with high strength is challenging. Here, we show that a strategy of carbonyl activation and hemiaminal ether stabilization can be embodied in a four-co...

Pentacyclic triterpenoic acids, betulinic acid, platanic oleanolic acid and ursolic were acetylated subsequently converted into mono-, bis- tris(hydroxyl)ethyl amides. While parent compounds are of none or minor cytotoxicity, these amides showed EC50 values even in low μM concentration for a variety different human tumor cell lines. Especially bis(hydroxyethyl)amide 12 derived from held an = 7....

Two dinuclear cobalt complexes based on bis-diketonate ligands (ligand 1: 3,3'-(1,3-phenylene)bis(1-phenylpropane-1,3-dione); ligand 2: 3,3'-(1,4-phenylene)bis(1-phenylpropane-1,3-dione)) were successfully synthesized. The two neutral catalysts all showed satisfactory activities in the cobalt-mediated radical polymerization (CMRP) of methyl methacrylate (MMA) with the common initiator of azodii...

The acyclic bis-phenanthridinium ligands 1, 2 and the cyclic analogue 3 bind to ss-RNA by bis-intercalation. Due to it’s shorter linker 1 exhibits mono-intercalative binding to ds-polynucleotides, while a mixed mode of binding with 2 is shown to strongly dependent on the base composition and tertiary structure of ds-DNA and RNA. The cyclic analogue 3 binds to ds-polynucleotides by non-intercala...