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Virtual screening of potential inhibitors of the ATPase site in Acinetobacter baumannii DNA Gyrase.
Comput Biol Med
January 2025
Laboratorio de Fisicoquímica Analítica, Unidad de Investigación Multidisciplinaria, Facultad de Estudios Superiores Cuautitlán, Universidad Nacional Autónoma de México, Cuautitlán Izcalli, Estado de México, 54714, Mexico. Electronic address:
Bacterial resistance is a global public health problem because of the ineffectiveness of conventional antibiotics against super pathogens. To counter this situation, the search for or design of new molecules is essential to inhibit the key proteins involved in several stages of bacterial infection. One of these key proteins is DNA gyrase, which is responsible for packaging and unfolding of DNA chains during replication.
View Article and Find Full Text PDFLeveraging molecular dynamics, physicochemical, and structural analysis to explore OMP33-36 protein as a drug target in Acinetobacter baumannii: An approach against nosocomial infection.
J Mol Graph Model
January 2025
Amity Institute of Biotechnology, Amity University Uttar Pradesh, Lucknow Campus, Gomtinagar Extension, Lucknow, 226028, India; Research Cell, Amity University Uttar Pradesh, Lucknow Campus, India. Electronic address:
The Acinetobacter baumannii is a member of the "ESKAPE" bacteria responsible for many serious multidrug-resistant (MDR) illnesses. This bacteria swiftly adapts to environmental cues leading to the emergence of multidrug-resistant variants, particularly in hospital/medical settings. In this work, we have demonstrated the outer membrane protein 33-36 (Omp33-36) porin as a potential therapeutic target in A.
View Article and Find Full Text PDFObjective: The objective of this research was to devise and authenticate a predictive model that employs CT radiomics and deep learning methodologies for the accurate prediction of synchronous distant metastasis (SDM) in clear cell renal cell carcinoma (ccRCC).
Methods: A total of 143 ccRCC patients were included in the training cohort, and 62 ccRCC patients were included in the validation cohort. The CT images from all patients were normalized, and the tumor regions were manually segmented via ITK-SNAP software.
Endocan as a marker of endotheliitis in COVID-19 patients: modulation by veno-venous extracorporeal membrane oxygenation, arterial hypertension and previous treatment with renin-angiotensin-aldosterone system inhibitors.
Inflamm Res
January 2025
Departamento de Biomedicina - Unidade de Farmacologia e Terapêutica, Faculdade de Medicina da Universidade do Porto (FMUP), Rua Dr. Plácido da Costa, S/N, Edifício Poente, Piso 3, 4200-450, Porto, Portugal.
Background And Aims: Endocan has been scarcely explored in COVID-19, especially regarding its modulation by veno-venous extracorporeal membrane oxygenation (VV-ECMO), hypertension or previous renin-angiotensin-aldosterone system (RAAS) inhibitors treatment. We compared endocan and other endotheliitis markers in hospitalized COVID-19 patients and assessed their modulation by VV-ECMO, hypertension and previous RAAS inhibitors treatment.
Material And Methods: Serum endocan, intercellular adhesion molecule-1 (ICAM-1), vascular cell adhesion molecule-1 (VCAM-1) and E-selectin were measured in "severe" (n = 27), "critically ill" (n = 17) and "critically ill on VV-ECMO" (n = 17) COVID-19 patients at admission, days 3-4, 5-8 and weekly thereafter, and in controls (n = 23) at a single time point.
Deep learning for forensic age estimation using orthopantomograms in children, adolescents, and young adults.
Eur Radiol
January 2025
Department of Radiology, Jena University Hospital-Friedrich Schiller University, Am Klinikum 1, 07747, Jena, Germany.
Objectives: Forensic age estimation from orthopantomograms (OPGs) can be performed more quickly and accurately using convolutional neural networks (CNNs), making them an ideal extension to standard forensic age estimation methods. This study evaluates improvements in forensic age prediction for children, adolescents, and young adults by training a custom CNN from a previous study, using a larger, diverse dataset with a focus on dental growth features.
Methods: 21,814 OPGs from 13,766 individuals aged 1 to under 25 years were utilized.
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