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Two new proanthocyanidins (2S:3S)-(-)-epicatechin-(4α→8)4-(2R:3R)-(+)-catechin (Compound 1) and (2R, 3R)-3-O-galloyl-(+)-catechin (4β→8)3-(2R, 3R)-3-O-galloyl-(+)-catechin (Compound 2) were isolated from and characterized by ultraviolet spectroscopy (UV), proton nuclear magnetic resonance (H NMR), C NMR, and heteronuclear multiple bond correlation . The bioactivity and drug scores of isolated compounds were predicted using OSIRIS property explorer applications with drug scores of 0.03 (compound 1) and 0.05 (compound 2). Predictive drug scores provided an indication of the compounds' potential to demonstrate desired biological effects. Furthermore, the newly discovered proanthocyanidins tended to interact with protein due to their chemical structure and molecular conformation. With the aim of maintaining this focus, compounds 1 and 2 were subjected to testing against ruminal enzymes to further explore their potential impact. Both compounds showed significant inhibition activities () against glutamic oxaloacetic transaminase in both protozoa and bacterial fractions, with an effective concentration (EC) of 12.30-18.20 mg/mL. The compounds also exhibited significant inhibition () of ruminal glutamic pyruvic transaminase activity, with EC values ranging from 9.77 to 17.38 mg/mL. Furthermore, the inhibition was recorded in R-cellulase between EC values of 15.85 and 23.99 mg/mL by both compounds. Additionally, both compounds led to a decrease in protease activity with increasing incubation time and concentration. In conclusion, the results indicate that these novel proanthocyanidins hold the potential to significantly impact rumen enzyme biology. Furthermore, their promising effects suggest that they could be further explored for drug development and other important applications.
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http://dx.doi.org/10.3389/fchem.2024.1359049 | DOI Listing |
Surg Infect (Larchmt)
September 2025
Department of Surgery, Division of Acute Care Surgery, University of Florida College of Medicine, Gainesville, Florida, USA.
Patients with traumatic injuries who develop ventilator-associated pneumonia (VAP) incur a higher risk of developing multi-drug resistance. Shorter duration of antibiotic agents for early VAP at five days may reduce antibiotic agent exposure without worsening patient outcomes. This retrospective cohort study performed at a Level I Trauma Center included adult (≥16 years old) patients with trauma diagnosed with bronchoalveolar lavage (BAL)-proven early (within four days of intubation) bacterial VAP.
View Article and Find Full Text PDFRev Med Liege
September 2025
Service de Néphrologie, CHU Liège, Belgique.
ANCA-associated vasculitis, such as granulomatosis with polyangiitis (GPA) and microscopic polyangiitis (MPA), are rare systemic diseases causing necrotizing inflammation of small blood vessels. Renal involvement is common, leading to acute kidney injury with hematuria and proteinuria. Diagnosis is based on serological tests (PR3-ANCA, MPO-ANCA) and renal histology via biopsy, which helps assess the extent of lesions.
View Article and Find Full Text PDFFASEB J
September 2025
Intensive Care Unit, Dongguan Traditional Chinese Medicine Hospital, Dongguan, Guangdong Province, China.
This study aimed to evaluate the quality of multidisciplinary team (MDT) management in healthcare-associated infection (HAI) prevention and control, as well as its impact on multidrug-resistant organism (MDRO) infections. This was a retrospective, single-center study with a small sample size. A total of 400 patients admitted to the Departments of Critical Care Medicine or Orthopedics between January 2022 and December 2023 were divided into a control group (n = 200, receiving conventional HAI management) and an experimental group (n = 200, undergoing MDT management).
View Article and Find Full Text PDFMol Inform
September 2025
Department of Computational Chemistry, "Coriolan Drăgulescu" Institute of Chemistry Timișoara, Romanian Academy, Timișoara, Romania.
Docking is a structure-based cheminformatics tool broadly employed in early drug discovery. Based on the tridimensional structure of the protein target, docking is used to predict the binding interactions between the protein and a ligand, estimate the corresponding binding affinity, or perform virtual screenings (VSs) to identify new active compounds. This study introduces the ligand B-factor index (LBI), a novel computational metric for prioritizing protein-ligand complexes for docking.
View Article and Find Full Text PDFJ Dermatolog Treat
December 2025
Department of Dermatology, The Fourth Affiliated Hospital of School of Medicine, and International School of Medicine, International Institutes of Medicine, Zhejiang University, Yiwu, China.
Background: Ivarmacitinib (SHR0302), a selective Janus kinase-1 inhibitor, is a novel treatment for moderate-to-severe atopic dermatitis (AD).
Objectives: This post hoc analysis evaluated the impact of early itch relief with ivarmacitinib on quality of life (QoL), working productivity, and sleep quality in affected patients.
Methods: Data from ivarmacitinib treatment groups in a phase III trial (NCT04875169) were analyzed.