introduction: diagnosing and treating diseases associated with amyloid fibers remain a great challenge despite of intensive research carried out. one important approach in the development of therapeutics is the use of herbal extracts which are rich in aromatic small molecules. cinnamomum verum extract (ce) contains proanthocyanidin and cinnamaldehyde, which have been suggested to be capable of ...

The crystal structure of triclinic hen egg-white lysozyme (HEWL) has been refined against diffraction data extending to 0.65 A resolution measured at 100 K using synchrotron radiation. Refinement with anisotropic displacement parameters and with the removal of stereochemical restraints for the well ordered parts of the structure converged with a conventional R factor of 8.39% and an R(free) of ...

By utilizing Graphics Processing Units, we show that constant pH molecular dynamics simulations (CpHMD) run in Generalized Born (GB) implicit solvent for long time scales can yield poor pKa predictions as a result of sampling unrealistic conformations. To address this shortcoming, we present a method for performing constant pH molecular dynamics simulations (CpHMD) in explicit solvent using a d...

Hen egg-white lysozyme crystals (HEWL) were grown in a batch at the air-liquid interface in a levitated state by use of an upward magnetic force. The magneto-Archimedes effect was employed to realize the levitation of the crystals in a relatively small magnetic field generated by a conventional superconducting magnet. Either GdCl3 or NiCl2 was used as a crystallizing agent and also to make the ...

L-Arginine (Arg or R) is a non-toxigenic, metabolically versatile and conditionally essential amino acid. Single-pot synthesis of Arg modified magnetic nanoparticles (RMNPs) was achieved using magnetite nanoparticles (MNPs) and binary function of Arg as a functional group and an alkali precipitator. This modification is supposed to offer several advantages to the MNPs from a bio-application vie...

COSY proton nuclear magnetic resonance was used to measure the exchange rates of amide protons of hen egg white lysozyme (HEWL) in the pressure-assisted cold-denatured state and in the heat-denatured state. After dissolving lysozyme in deuterium oxide buffer, labile protons exchange for deuterons in such a way that exposed protons are substituted rapidly, whereas "protected" protons within stru...

Gemini surfactants and their interactions with proteins have gained considerable scientific interest, especially when amyloidogenic proteins are taken into account. In this work, the influence of two selected dicationic (gemini) surfactants (3,3'-[1,8-(2,7-dioxaoctane)]bis(1-dodecylimidazolium) chloride and 3,3'-[1,12-(2,11-dioxadodecane)]bis(1-dodecylimidazolium) chloride) on two model protein...

As synchrotron radiation becomes more intense, detectors become faster and structure-solving software becomes more elaborate, obtaining single crystals suitable for data collection is now the bottleneck in macromolecular crystallography. Hence, there is a need for novel and advanced crystallisation agents with the ability to crystallise proteins that are otherwise challenging. Here, an Anderson...

Glycation causes severe damage to protein structure that could lead to amyloid formation in special cases. Here in this report, we have shown for the first time that hen egg white lysozyme (HEWL) does not undergo amyloid formation even after prolonged glycation in the presence of D-glucose, D-fructose and D-ribose. Cross-linked oligomers were formed in all the cases and ribose was found to be t...