Butyrylcholinesterase (BChE) plays an important role in the progression of the Alzheimer’s disease. In this study, we used a structure-based virtual screening (VS) approach to discover new BChE inhibitors. A ligand database was filtered and docked to the BChE protein using Glide program. The outcome from VS was filtered and the top ranked hits were thoroughly examined for their fitting into the protein active site. Consequently, the best 38 hits were selected for
in vitro
testing using Ellman’s method, and six of which showed inhibition activity for BChE. Interestingly, the most potent hit (Compound 4) exhibited inhibitory activity against the BChE enzyme in the low micromolar level with an IC50 value of 8.3 µM. Hits obtained from this work can act as a starting point for future SAR studies to discover new BChE inhibitors as anti-Alzheimer agents.
Nanomaterials have been largely used as a class of antibacterial drugs. However, the bottlenecks of this class of materials rely on significant aggregation and accumulation, as well as toxicity resulted...
The effectiveness of microwave-assisted synthesis of 5,10,15,20-tetraphenylporphyrin and its corresponding to metal complexes of (Bi (III), Zn (II) and Ni (II)) are described. Moreover, the synthesized metalloporphyrins that were obtained with reasonable yields were characterized using UV-vis, 1 H-NMR and IR.
The peroxisome proliferator activator receptor-γ (PPAR-γ) remained the most effective target for management of diabetes mellitus. The present work endeavors rational designing new PPAR-γ agonist bearing cyclotriphosphazene and thiazolidine-2,4-dione scaffolds. Thiazolidinedione (TZD) derivatives are the novel class of oral antidiabetic drugs which are selective agonist for the nuclear PPARγ that enhances the transcription of several insulin responsive genes but TZDs are known to cause weight gain, hepatotoxicity and fluid retention. So, cyclotriphosphazene containing thiazolidine-2,4-dione was designed, synthesized as PPARγ agonist. The in-vitro antidiabetic activity showed that compound 8 has similar activity and exhibited higher glucose uptake in comparison to pioglitazone as reference drugs. This research opened new avenues for smart designing of molecules with high efficiency towards the management of hyperglycemia.
There is a notable absence in the practical inorganic curricula for experiments in which students can synthesize and characterize series of inorganic complexes. This is possibility attributed to the long required time which is not normally available in regular lab sessions. To address this absence, this paper describes a two-part experiment for chemistry major students in which they prepare series of metalloporphyrins using microwaveassisted technique. In addition to its attractive simplicity, microwave-assisted preparation substantially reduces the needed reaction time to suit the lab session duration. The first lab session is dedicated to the characterization of the 5,10,15,20-tetraphenylporphyrin (TPP) as well as the synthesis of the corresponding Fe(II), Co(II), Ni(II), Cu(II) and Zn(II) complexes. The second session involves the spectroscopic characterization (UV-vis, 1H-NMR, and IR) of the prepared metalloprophyrins. The students relate the experimental results with the provided theoretical data based on quantum chemical calculations.
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