Advanced glycation end products (AGEs) are implicated in several central nervous system (CNS) pathologies including Alzheimer and Parkinson's diseases. In the face-off of AGE menace, we have attempted to investigate the zinc oxide nanoparticle (ZnONP) role in inhibition of AGE formation. Synthesized ZnONPs were used to investigate the inhibitory effects on AGE formation. The inhibitory effects of ZnONPs on AGE formation were determined by biophysical immunological and biochemical techniques. The results showed that ZnONP is a potential anti-glycating agent inhibiting AGE formation as well as protecting the protein structure from change. Therefore, our findings suggest ZnONPs may be used as a therapeutic in resolving the AGE role in CNS-related complications.
Interaction of curcumin (CUR) with the enzyme dihydrofolate reductase (DHFR) was studied by molecular docking using AutoDock
4.2 as the docking software application. AutoDock 4.2 software serves as a valid and acceptable docking application to study the
interactions of small compounds with proteins. Interactions of curcumin with DHFR were compared to those of methotrexate (MTX), a
known inhibitor of the enzyme. The calculated free energy of binding (ΔG binding) shows that curcumin (ΔG = -9.02 kcal/mol; Ki = 243
nM) binds with affinity comparable to or better than MTX (ΔG = -8.78 kcal/mol; Ki = 363 nM). Binding interactions of curcumin with
active site residues of the enzyme are also predicted. Curcumin appears to bind in a bent conformation making extensive VDW
contacts in the active site of the enzyme. Hydrogen bonding and pi-pi interaction with key active site residues are also observed. Thus,
curcumin can be considered as a good lead compound in the development of new inhibitors of DHFR, which is a potential target of
anti-cancer drugs. The results of these studies can serve as a starting point for further computational and experimental studies.
Mobile phones contaminated with bacteria may act as fomites. Antibiotic resistant bacterial contamination of mobile phones of inpatients was studied. One hundred and six samples were collected from mobile phones of patients admitted in various hospitals in Jazan province of Saudi Arabia. Eighty-nine (83.9%) out of 106 mobile phones were found to be contaminated with bacteria. Fifty-two (49.0%) coagulase-negative Staphylococcus, 12 (11.3%) Staphylococcus aureus, 7 (6.6%) Enterobacter cloacae, 3 (2.83%) Pseudomonas stutzeri, 3 (2.83%) Sphingomonas paucimobilis, 2 (1.8%) Enterococcus faecalis and 10 (9.4%) aerobic spore bearers were isolated. All the isolated bacteria were found to be resistant to various antibiotics. Hence, regular disinfection of mobile phones of hospital inpatients is advised.
In silico interaction of curcumin with the enzyme MMP-3 (human stromelysin-1) was studied by molecular docking using
AutoDock 4.2 as the docking software application. AutoDock 4.2 software serves as a valid and acceptable docking application to
study the interactions of small compounds with proteins. Interactions of curcumin with MMP-3 were compared to those of two
known inhibitors of the enzyme, PBSA and MPPT. The calculated free energy of binding (ΔG binding) shows that curcumin binds
with affinity comparable to or better than the two known inhibitors. Binding interactions of curcumin with active site residues of
the enzyme are also predicted. Curcumin appears to bind in an extendended conformation making extensive VDW contacts in the
active site of the enzyme. Hydrogen bonding and pi-pi interactions with key active site residues is also observed. Thus, curcumin
can be considered as a good lead compound in the development of new inhibitors of MMP-3 which is a potential target of anticancer
drugs. The results of these studies can serve as a starting point for further computational and experimental studies.
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