Browsing by Author "Pérez González, Juan Jesús"
Now showing items 21-40 of 46
-
Effect of the solvent on the conformational behavior of the alanine dipeptide deduced from MD simulations
(2017-11-01)
Article
Open AccessIn general, peptides do not exhibit a well-defined conformational profile in solution. However, despite the experimental blurred picture associated with their structure, compelling spectroscopic evidence shows that peptides ... -
Flavonoid allosteric modulation of mutated visual rhodopsin associated with retinitis pigmentosa
(Macmillan Publishers, 2017-12-01)
Article
Open AccessDietary flavonoids exhibit many biologically-relevant functions and can potentially have beneficial effects in the treatment of pathological conditions. In spite of its well known antioxidant properties, scarce structural ... -
Identification of a novel inhibitory allosteric site of MAP kinases
(2016-11-29)
Article
Open AccessIn the present study, we report the discovery of a novel allosteric inhibitory site for p38a, a subclass of the mitogen-activated protein kinases (MAPK) family. The putative site was discovered after inspection of the ... -
Identification of potential small molecule binding pockets in p38a MAP kinase
(2017-10-23)
Article
Open AccessGiven the essential role played by protein kinases in regulating cellular pathways, their dysregulation can result in the onset and/or progression of various human diseases. Structural analysis of diverse protein kinases ... -
Jornada EIT Urban Mobility
(2021-03-26)
Audiovisual
Open Access -
Mercury-induced dark-state instability and photobleaching alterations of the visual G-protein coupled receptor rhodopsin
(2014-07-01)
Article
Restricted access - publisher's policyMercuric compounds were previously shown to affect the visual phototransduction cascade, and this could result in vision impairment. We have analyzed the effect of mercuric chloride on the structure and stability of the ... -
Molecular determinants for the activation/inhibition of bak protein by BH3 peptides
(2020-03-23)
Article
Open AccessApoptosis is a key cell death pathway in mammalian cells. Understanding this process and its regulation has been a subject of study in the last three decades. Members of the Bcl-2 family of proteins are involved in the ... -
Molecular determinants of the bacterial resistance to fluoroquinolones: A computational study
(2013-06-13)
Article
Open AccessAbstract: Quinolones constitute a large class of antibacterial agents whose action is mediated through the formation of a ternary complex with DNA and either, DNA Gyrase or topoisomerase IV, resulting in the inhibition ... -
Molecular features characterizing non-peptide selectivity to the human B1 and B2 bradykinin receptors
(2019-01-01)
Article
Restricted access - publisher's policyBradykinin is produced in response to inflammation, trauma, burns, shock, allergy and some cardiovascular diseases. Actions of this peptide are mediated through two different G-protein coupled receptors, named B1 and B2 ... -
Molecular features of non-selective small molecule antagonists of the Bradykinin receptors
(2020-09-21)
Article
Open AccessAngiotensin converting enzyme 2 (ACE2) downregulation is a key negative factor for the severity of lung edema and acute lung failure observed in patients infected with SARS-CoV-2. ACE2 downregulation affects the levels of ... -
Molecular polarization potential as a molecular descriptor to predict biological activity of dioxins and dibenzofurans
(2016-07-06)
Article
Restricted access - publisher's policyMolecular interaction potential (MIP) maps are a powerful tool to develop structure-activity relationships of a series of compounds. In the present study we have studied the effect of molecular polarization on the description ... -
New insights into the stereochemical requirements of the bombesin BB1 receptor antagonists binding
(2020-08-17)
Article
Open AccessMembers of the family of bombesinlike peptides exert a wide range of biological activities both at the central nervous system and in peripheral tissues through at least three G-Protein Coupled Receptors: BB1, BB2 and BB3. ... -
New insights into the stereochemical requirements of the bradykinin B1 receptor antagonist binding
(2016-07-21)
Article
Open AccessBradykinin (BK) is a nonapeptide involved in several pathophysiological conditions including among others, septic and haemorrhagic shock, anaphylaxis, arthritis, rhinitis, asthma, inflammatory bowel disease. Accordingly, ... -
New insights into the stereochemical requirements of the bradykinin B1 receptor antagonist binding.
(2016-07-26)
Article
Open AccessBradykinin (BK) is a nonapeptide involved in several pathophysiological conditions including among others, septic and haemorrhagic shock, anaphylaxis, arthritis, rhinitis, asthma, inflammatory bowel disease. Accordingly, ... -
New insights into the stereochemical requirements of the bradykinin B2 receptor antagonists binding
(2016-01-20)
Article
Open AccessBradykinin (BK) is a member of the kinin family, released in response to inflammation, trauma, burns, shock, allergy and some cardiovascular diseases, provoking vasodilatation and increased vascular permeability among other ... -
On-line quality assurance of study programmes: EQUASP approach
(2016-04-05)
Article
Open AccessThe description of the EQUASP model for quality assurance of study programmes, developed in framework of a TEMPUS project, is introduced. The introduction section contains brief information on the concept of quality and ... -
Randomized tree construction algorithm to explore energy landscapes
(2011-12)
Article
Open AccessWe report in the present work a new method for exploring conformational energy landscapes. The method, called T-RRT, combines ideas from statistical physics and robot path planning algorithms. A search tree is constructed ... -
Rational design of new class of BH3-mimetics as inhibitors of the Bcl-X(L) protein
(2011-06)
Article
Open AccessThe Bcl-2 family of proteins plays an important role in the intrinsic pathway of cell apoptosis. Overexpression of prosurvival members of this family of proteins is often associated with the development of many types of ... -
Social responsibility as a transversal competence of graduates
(2016)
Conference report
Open AccessPaper purpose: The aim of the present communication is to propose a procedure to assess the level of competence achieved by graduates. Design/methodology/theoretical approach: We propose to use a quality assurance ... -
Structural characterization of a zinc high-affinity binding site in rhodopsin
(2009-02)
Article
Restricted access - publisher's policy
