A new molecular dynamics-like modelling approach aimed at simulating the mechanical behaviour of true polyhedra dense assemblies is presented. Thanks to an improved version of the Gilbert-Johnson-Keerthi contact detection algorithm called GJK - TD, this approach involves no edge or corner rounding and accounts for multipoint face - face or edge - f...
Published in Computational biology and chemistry
Connexinophaties are a collective of diseases related to connexin channels and hemichannels. In particular many Cx26 alterations are strongly associated to human deafness. Calcium plays an important role on this structures regulation. Here, using calcium as a probe, extensive atomistic Molecular Dynamics simulations were performed on the Cx26 hemic...
Published in Journal of cellular biochemistry
Mutations in the growth hormone receptor (GHR) gene can cause disruption of the growth hormone signaling pathway, resulting in growth deficiency due to growth hormone (GH) resistance. Both recessive and apparently dominant mutations have been described in the literature. In order to shed some light on the molecular mechanism of partial growth hormo...
Published in Journal of cellular biochemistry
The second-generation antiandrogen enzalutamide, targeting androgen receptor (AR), was approved to treat castration resistant prostate cancer (CRPC) in 2012. Its resistance was observed when it was in the clinical research stage. AR mutation is the main factor of enzalutamide resistance. AR F876L and F876L_T877A mutations were reported to switch en...
Published in Journal of cellular biochemistry
Fluoroquinolones are among the most important classes of highly effective antibacterial drugs, exhibiting wide range of activity to cure infectious diseases. Ofloxacin is second generation fluoroquinolone approved by FDA for the treatment of tuberculosis by selectively inhibiting DNA gyrase. However, the emergence of drug resistance owing to mutati...
Published in Journal of cellular biochemistry
Alzheimer's is a neurodegenerative disease affecting large populations worldwide characterized mainly by progressive loss of memory along with various other symptoms. The foremost cause of the disease is still unclear, however various mechanisms have been proposed to cause the disease that include amyloid hypothesis, tau hypothesis, and cholinergic...
Investigation of the thermoelastic martensitic transformation is of high interest nowadays because of the numerous applications of the materials with such structural peculiarities. Thermodynamics, kinetics, structure, morphology of martensitic transformation still remain unclear in many respects. From this point of view, the effective way to study ...
Published in Journal of cellular biochemistry
Mutations in Fetal Liver Tyrosine Kinase 3 (FLT3) genes are implicated in the constitutive activation and development of Acute Myeloid Leukaemia (AML). They are involved in signalling pathway of autonomous proliferation and block differentiation in leukaemia cells. FLT3 is considered as a promising target for the therapeutic intervention of AML. Th...
Published in Journal of cellular biochemistry
World Health Organization reports that methicillin-resistant Staphylococcus aureus (MRSA) is the origin of higher proportion of hospital acquired infections. In order to combat the effect of MRSA infection, an ideal drug should stimulate the allosteric exposure of active site, prompting penicillin binding proteins (PBP2a) to bind with that particul...
Atomic layer deposition (ALD) is a thin film deposition process based on alternating exposure of precursor materials on a substrate surface. If the former are chosen in an appropriate way, alternate sequential exposure of precursors results in self-terminating reactions and thus allows a controlled layer-by-layer growth. Therefore ALD has been appl...
