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A-kinase anchor protein 12 promotes oligodendrogenesis and cognitive recovery in carbon monoxide therapy for traumatic brain injury.
J Cereb Blood Flow Metab
January 2025
Departments of Neurology and Radiology, Massachusetts General Hospital and Harvard Medical School, Boston, USA.
Therapeutic drug development for central nervous system injuries, such as traumatic brain injury (TBI), presents significant challenges. TBI results in primary mechanical damage followed by secondary injury, leading to cognitive dysfunction and memory loss. Our recent study demonstrated the potential of carbon monoxide-releasing molecules (CORMs) to improve TBI recovery by enhancing neurogenesis.
View Article and Find Full Text PDFLigand-Conditioned Side Chain Packing for Flexible Molecular Docking.
J Chem Theory Comput
January 2025
State Key Laboratory of Physical Chemistry of Solid Surfaces and Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, P. R. China.
Molecular docking is a crucial technique for elucidating protein-ligand interactions. Machine learning-based docking methods offer promising advantages over traditional approaches, with significant potential for further development. However, many current machine learning-based methods face challenges in ensuring the physical plausibility of generated docking poses.
View Article and Find Full Text PDFSialic Acid-Modified NIR-II Fluorophore with Enhanced Brightness and Photoconversion Capability for Targeted Lymphoma Phototheranostics.
Anal Chem
January 2025
School of Life Sciences, Key Laboratory of Space Bioscience & Biotechnology, Northwestern Polytechnical University, Xi'an 710072, China.
Lymphoma is a malignant cancer characterized by a rapidly increasing incidence, complex etiology, and lack of obvious early symptoms. Efficient theranostics of lymphoma is of great significance in improving patient outcomes, empowering informed decision-making, and driving medical innovation. Herein, we developed a multifunctional nanoplatform for precise optical imaging and therapy of lymphoma based on a new photosensitizer (1-oxo-1-benzoo[de]anthracene-2,3-dicarbonitrile-triphenylamine (OBADC-TPA)).
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 PDFA preliminary study of microwave ablation (MWA) for Bethesda IV follicular neoplasms (≤3 cm).
Br J Radiol
January 2025
Department of Interventional Ultrasound Medicine, China-Japan Friendship Hospital, Beijing, China.
Objective: To evaluate the feasibility, safety, and efficacy of microwave ablation (MWA) for the treatment of patients with Bethesda IV follicular neoplasms (FNs) (≤3 cm).
Methods: In the retrospective study, patients who underwent MWA for Bethesda IV follicular neoplasms (≤3 cm) were included. Technical success, volume reduction, disease progression, and adverse event (AE) rates were analyzed postablation.
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