Publications by authors named "M Liz Romero Bogado"
Article Synopsis
- Multisystem organ failure (MSOF) is a serious condition that can occur in people with acute pancreatitis (AP), and it is a major cause of death.
- The study looked at how obesity and alcohol-related causes affect the risk of MSOF in patients with AP through a big research project involving many hospitals in different countries.
- The results showed that obese men are more likely to have MSOF, and people who drink alcohol also have a higher risk, while obesity does not seem to affect women in the same way.
Protein pockets that form a halogen bond (X-bond) with a halogenated ligand molecule simultaneously form other (mainly hydrophobic) interactions with the halogen atom that can be considered as its "X-bond environment" (XBenv). Most studies in the field have focused on the X-bond, with the properties of the XBenv usually overlooked. In this work, we derived a protocol that evaluates the XBenv strength as a measure of the propensity of a protein pocket to host an X-bond.
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- - The study evaluated the performance of the Pancreatitis Activity Scoring System (PASS) and a modified version (mPASS) in predicting outcomes for patients with acute pancreatitis across a large international cohort.
- - Data from 1393 patients showed that the severity of acute pancreatitis was categorized successfully, and the modified PASS (mPASS-1) without morphine equivalent dose (MED) provided better predictive accuracy for severe cases.
- - The findings suggest that removing the MED from the scoring system simplifies calculations, improves prediction of severe acute pancreatitis, and shows clear differences in early patient trajectories.
, a flagellate protozoan parasite, is responsible for Chagas disease. The parasite major cysteine protease, cruzain (Cz), plays a vital role at every stage of its life cycle and the active-site region of the enzyme, similar to those of other members of the papain superfamily, is well characterized. Taking advantage of structural information available in public databases about Cz bound to known covalent inhibitors, along with their corresponding activity annotations, in this work, we performed a deep analysis of the molecular interactions at the Cz binding cleft, in order to investigate the enzyme inhibition mechanism.
View Article and Find Full Text PDFA series of tetrahydroisoquinolines functionalized with carbamates is reported here as highly selective ligands on the dopamine D2 receptor. These compounds were selected by means of a molecular modeling study. The studies were carried out in three stages: first an exploratory study was carried out using combined docking techniques and molecular dynamics simulations.
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