molecular

Evaluating the predictions of the protein stability change upon single amino acid substitutions for the FXN CAGI5 challenge

Frataxin (FXN) is a highly conserved protein found in prokaryotes and eukaryotes that is required for efficient regulation of cellular iron homeostasis. Experimental evidence associates amino acid substitutions of the FXN to Friedreich Ataxia, a neurodegenerative disorder. Recently, new thermodynamic experiments have been performed to study the impact of somatic variations identified in cancer tissues on protein stability.

MitImpact 3: modeling the residue interaction network of the Respiratory Chain subunits

Numerous lines of evidence have shown that the interaction between the nuclear and mitochondrial genomes ensures the efficient functioning of the OXPHOS complexes, with substantial implications in bioenergetics, adaptation, and disease. Their interaction is a fascinating and complex trait of the eukaryotic cell that MitImpact explores with its third major release.

Torque-induced reorientation in active fibre-reinforced materials

We introduce a continuum model for a fibre reinforced material in which the reference orientation of the fibre may evolve with time, under the influence of external stimuli. The model is formulated in the framework of large strain hyperelasticity and the kinematics of the continuum is described by both a position vector and by a remodelling tensor which, in the present context, is an orthogonal tensor representing the fibre reorientation process.

Synthesis, biological evaluation and molecular modeling studies on novel quinonoid inhibitors of CDC25 phosphatases

The cell division cycle 25 phosphatases (CDC25A, B, and C; E.C. 3.1.3.48) are key regulator of the cell cycle in human cells. Their aberrant expression has been associated with the insurgence and development of various types of cancer, and with a poor clinical prognosis. Therefore, CDC25 phosphatases are a valuable target for the development of small molecule inhibitors of therapeutic relevance. Here, we used an integrated strategy mixing organic chemistry with biological investigation and molecular modeling to study novel quinonoid derivatives as CDC25 inhibitors.

Functional analysis of the cfdp1 gene in zebrafish provides evidence for its crucial role in craniofacial development and osteogenesis

The CFDP1 proteins have been linked to craniofacial development and osteogenesis in vertebrates, though
specific human syndromes have not yet been identified. Alterations of craniofacial development represent the
main cause of infant disability and mortality in humans. For this reason, it is crucial to understand the cellular
functions and mechanism of action of the CFDP1 protein in model vertebrate organisms. Using a combination of
genomic, molecular and cell biology approaches, we have performed a functional analysis of the cfdp1 gene and

Anti-haemostatic compounds from the vampire snail Cumia reticulata: Molecular cloning and in-silico structure-function analysis

Blood-feeding animals are known for their ability to produce bioactive compounds to impair haemostasis and suppress pain perception in the host. These compounds are extremely appealing for pharmacological development since they are generally very effective and specific for their molecular target. A preliminary RNA-Seq based characterization of the secretion from salivary and mid-oesophageal tissues of the vampire snail Cumia reticulata, revealed a complex mixture of feeding-related transcripts with potential anaesthetic and anticoagulant action.

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