Search results for "P[9]"

Multivariate analysis in the identification of biological targets for designed molecular structures: The BIOTA protocol

2013

In this work the new protocol BIOlogical Target Assignation (BIOTA) for the prediction of the biological target from molecular structures is proposed. BIOTA is based on the Principal Components Analysis (PCA) application on a matrix of ligands versus molecular descriptors. The application of BIOTA could allow to hypothesize the mechanism of action of a candidate drug prior to its biological evaluation or to repurpose old drugs. The protocol can be fine-tuned by choosing opportune targets (biological or not) and molecular descriptors, and it can be useful in every fields in with it is possible to collect set of compounds with known properties. The robustness of the protocol depends from diff…

Principal component analysis on molecular descriptors as an alternative point of view in the search of new Hsp90 inhibitors

2009

Inhibiting a protein that regulates multiple signal transduction pathways in cancer cells is an attractive goal for cancer therapy. Heat shock protein 90 (Hsp90) is one of the most promising molecular targets for such an approach. In fact, Hsp90 is a ubiquitous molecular chaperone protein that is involved in folding, activating and assembling of many key mediators of signal transduction, cellular growth, differentiation, stress-response and apoptothic pathways. With the aim to analyze which molecular descriptors have the higher importance in the binding interactions of these classes, we first performed molecular docking experiments on the 187 Hsp90 inhibitors included in the BindingDB, a pu…

Evolution of a Non-Hermitian Quantum Single-Molecule Junction at Constant Temperature

2021

This work concerns the theoretical description of the quantum dynamics of molecular junctions with thermal fluctuations and probability losses. To this end, we propose a theory for describing non-Hermitian quantum systems embedded in constant-temperature environments. Along the lines discussed in [A. Sergi et al., Symmetry 10 518 (2018)], we adopt the operator-valued Wigner formulation of quantum mechanics (wherein the density matrix depends on the points of the Wigner phase space associated to the system) and derive a non-linear equation of motion. Moreover, we introduce a model for a non-Hermitian quantum single-molecule junction (nHQSMJ). In this model the leads are mapped to a tunneling…

Are tools all we need? Digital Humanities in the time of its institutionalisation

2011

Three key features of the Digital Humanities today are its quantitative growth, its institutionalisation and its definition as a discipline. In the first part of this article (2. Institutional models) I shall pinpoint some models of institutionalisation that are emerging in the international scenario. Against this background, I shall then discuss (3. Tools) some concepts central to Digital Humanities’ self-definition, such as those of practice, ‘building’, centre, project, product and tools, particularly questioning the opinion that the creation of friendly digital tools is the key issue in the future of the field. I shall finally suggest that ‘instrumentalism’, ‘project fever’ and an exces…

Multialternating graded polynomials and growth of polynomial identities

2012

Let G be a finite group and A a finite dimensional G-graded algebra over a field of characteristic zero. When A is simple as a G-graded algebra, by mean of Regev central polynomials we construct multialternating graded polynomials of arbitrarily large degree non vanishing on A. As a consequence we compute the exponential rate of growth of the sequence of graded codimensions of an arbitrary G-graded algebra satisfying an ordinary polynomial identity. In particular we show it is an integer. The result was proviously known in case G is abelian.

ESPRESSIONE DI VEGF, HSP90 E Bip/GRP78 E RICORRENZA DI CARCINOMA EPATOCELLULARE DOPO TRAPIANTO DI FEGATO

Background and aims Liver transplantation (LT) for hepatocellular carcinoma (HCC) is a satisfactory therapeutic choice in patients with “early HCC” selected according to Milan criteria. However, the risk of HCC recurrence after LT is about 7-10% at five years and markers which can predict recurrence are still lacking. We investigated in HCC samples and LC surrounding tissues the significance of VEGF, HSP90, and Bip/GRP78 expression in patients with HCC who underwent LT in a western transplantation center and their possible role as markers of recurrence. Background and aims Liver transplantation (LT) for hepatocellular carcinoma (HCC) is a satisfactory therapeutic choice in patients with “ea…

Decoding algorithm for HL-codes and performance of the DHH-cryptosystem -- a candidate for post-quantum cryptography

2023

We give a decoding algorithm for a class of error-correcting codes, which can be used in the DHH-cryptosystem, which is a candidate for post-quantum cryptography, since it is of McEliece type. Furthermore, we implement the encryption and decryption algorithms for this cryptosystem and investigate its performance.

Endoplasmic Reticulum Chaperones in Viral Infection: Therapeutic Perspectives

2021

SUMMARY Viruses are intracellular parasites that subvert the functions of their host cells to accomplish their infection cycle. The endoplasmic reticulum (ER)-residing chaperone proteins are central for the achievement of different steps of the viral cycle, from entry and replication to assembly and exit. The most abundant ER chaperones are GRP78 (78-kDa glucose-regulated protein), GRP94 (94-kDa glucose-regulated protein), the carbohydrate or lectin-like chaperones calnexin (CNX) and calreticulin (CRT), the protein disulfide isomerases (PDIs), and the DNAJ chaperones. This review will focus on the pleiotropic roles of ER chaperones during viral infection. We will cover their essential role …

VEGFR-2, HSP90 and GRP78/BiP expression and HCC recurrence after Liver Transplantation

2018

Introduction Liver transplantation (LT) for hepatocellular carcinoma (HCC) is a satisfactory therapeutic choice in patients with “early HCC” selected according to Milan criteria. However, the risk of HCC recurrence after LT is about 7-20% at five years and molecular markers which can predict recurrence are still lacking. We investigated in HCC samples and LC surrounding tissues the significance of VEGFR-2, HSP90, and GRP78/BiP expression in patients with HCC who underwent LT in a western transplantation center and their possible role as molecular markers of recurrence. Methods 42 patients (35 M, 7 F) with early HCC who underwent LT between 2012 and 2013 were enrolled. The tumor recurrence r…

Hsp90 dictates viral sequence space by balancing the evolutionary tradeoffs between protein stability, aggregation and translation rate

2017

AbstractAcquisition of mutations is central to evolution but the detrimental effects of most mutations on protein folding and stability limit protein evolvability. Molecular chaperones, which suppress aggregation and facilitate polypeptide folding, are proposed to promote sequence diversification by buffering destabilizing mutations. However, whether and how chaperones directly control protein evolution remains poorly understood. Here, we examine the effect of reducing the activity of the key eukaryotic chaperone Hsp90 on poliovirus evolution. Contrary to predictions of a buffering model, inhibiting Hsp90 increases population sequence diversity and promotes accumulation of mutations reducin…