Search results for "H.P.M."

New Model of Governance of Football Sector in Italy. The Identification of Some Gaps for the Overcoming of Pathologies

2012

Challenging or Accommodating the Football System? A Case Study of Female Football Supporter Communities in Spain

2018

The chapter is dedicated to the study of a specific type of football community that emerged during the 1980s in Spain: women’s penas. Llopis-Goig and Flores discuss how women’s link to these penas provides them with networks of support and sociability, bonds of friendship and integration in a community as well as a door to the public space that helps them avoid the isolation of a nuclear family for some women. Thus, the female fans generate empowerment strategies that allow them to gradually combat the discrimination experienced in football and in society. However, Llopis-Goig and Flores argue that women’s penas cannot be regarded as initiatives that question the patriarchal structure of fo…

Revisiting the Trust–Commitment and Export Performance Link: A Qualitative Comparative Analysis (QCA) Approach

2020

This research revisits the role of different foci of trust (interpersonal and inter-organizational), commitment (affective and calculative) and relationship lengths (inter-organizational and interpersonal) then on export relationship performance. 142 Ecuadorian non-oil exporters completed a self-administered questionnaire. This study applies fuzzy-set qualitative comparative analysis (fsQCA) and the findings help to re-establish the need for both trust dimensions and affective commitment in exporter–importer relationships. This research found three possible configurations of achieving high export relationship performance. The managerial implications noted that export managers should nurture…

La qualità percepita dai clienti della Grande distribuzione: disegno di ricerca e tecnica di campionamento

2009

In silico molecular investigations of pyridine N-Oxide compounds as potential inhibitors of SARS-CoV-2: 3D QSAR, molecular docking modeling, and ADME…

2020

The new coronavirus SARS-CoV-2 virus is causing a severe pneumonia in human, provoking the serious outbreak epidemic CoV-2. Since its appearance in Wuhan, China on December 2019, CoV-2 becomes the biggest challenge the world is facing today, including the discovery of antiviral drug for SARS-CoV-2. In this study, the potential inhibitory of a class of human SARS inhibitors, namely pyridine N-oxide derivatives, against CoV-2 was addressed by quantitative structure-activity relationship 3 D-QSAR. The reliable CoMSIA developed model of 110 pyridine N-oxide based-antiviral compounds, showed Q

Opioid analgetics retention–pharmacologic activity models using biopartitioning micellar chromatography

2002

Opioids are drugs used in medicine for pain control. In this paper, retention-pharmacokinetics and retention-pharmacodynamics relationships of opioids are proposed and statistically validated. These models are based on the compound retention in the biopartitioning micellar chromatography system (BMC), a new methodology which has successfully been used to develop QRAR models for many other families of compounds. The obtained results are compared to the traditional QSAR models using lipophilicity data. The adequacy of QRAR models is due to the fact that the characteristics of the compounds such as the hydrophobicity, electronic charge and steric effects determine both their retention in BMC a…

Molecular topology as a novel approach for drug discovery

2012

Molecular topology (MT) has emerged in recent years as a powerful approach for the in silico generation of new drugs. One key part of MT is that, in the process of drug design/discovery, there is no need for an explicit knowledge of a drug's mechanism of action unlike other drug discovery methods.In this review, the authors introduce the topic by explaining briefly the most common methodology used today in drug design/discovery and address the most important concepts of MT and the methodology followed (QSAR equations, LDA, etc.). Furthermore, the significant results achieved, from this approach, are outlined and discussed.The results outlined herein can be explained by considering that MT r…

Extended GT-STAF information indices based on Markov approximation models

2013

Abstract A series of novel information theory-based molecular parameters derived from the insight of a molecular structure as a chemical communication system were recently presented and usefully employed in QSAR/QSPRs (J. Comp. Chem, 2013, 34, 259; SAR and QSAR in Environ. Res. 2013, 24). This approach permitted the application of Shannon’s source and channel coding entropic measures to a chemical information source comprised of molecular ‘fragments’, using the zero-order Markov approximation model (atom-based approach). This report covers the theoretical aspects of the extensions of this approach to higher-order models, introducing the first, second and generalized-order Markov approximati…

New hypoglycaemic agents selected by molecular topology.

2003

Abstract New compounds showing hypoglycaemic activity have been designed through a computer aided method based on quantitative structure–activity relationship (QSAR) and molecular connectivity. After calculation of topological indices for a set of 89 compounds including active and inactive with regards to hypoglycaemic action, linear discriminant analysis was performed so that a useful model to predict such an activity was achieved. Later on, the discriminant model was applied on a huge database so that fourteen compounds were selected as potential new hypoglycaemics. From them, just five were finally selected for experimental test on expected hypoglycaemic activity. Among the selected comp…

A topological substructural approach for the prediction of P-glycoprotein substrates

2006

A topological substructural molecular design approach (TOPS-MODE) has been used to predict whether a given compound is a P-glycoprotein (P-gp) substrate or not. A linear discriminant model was developed to classify a data set of 163 compounds as substrates or nonsubstrates (91 substrates and 72 nonsubstrates). The final model fit the data with sensitivity of 82.42% and specificity of 79.17%, for a final accuracy of 80.98%. The model was validated through the use of an external validation set (40 compounds, 22 substrates and 18 nonsubstrates) with a 77.50% of prediction accuracy; fivefold full cross-validation (removing 40 compounds in each cycle, 80.50% of good prediction) and the predictio…