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| http://dx.doi.org/10.3389/fchem.2022.968687 | DOI Listing |
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Artificial intelligence and computer-aided drug discovery: Methods development and application.
Methods
January 2025
Department of Biotechnology, Bharath Institute of Higher Education and Research, Chennai 600073 Tamil Nadu, India. Electronic address:
Molecular Characterization and Potential Inhibitors Prediction of Protein Arginine Methyltransferase-2 in Carcinoma: An Insight from Molecular Docking, ADMET Profiling and Molecular Dynamics Simulation Studies.
Euroasian J Hepatogastroenterol
December 2024
Department of Gastroenterology and Metabology, Ehime University Graduate School of Medicine, Ehime, Japan.
Objectives: To predict and characterize the three-dimensional (3D) structure of protein arginine methyltransferase 2 (PRMT2) using homology modeling, besides, the identification of potent inhibitors for enhanced comprehension of the biological function of this protein arginine methyltransferase (PRMT) family protein in carcinogenesis.
Materials And Methods: An method was employed to predict and characterize the three-dimensional structure. The bulk of PRMTs in the PDB shares just a structurally conserved catalytic core domain.
Humanized monoacylglycerol acyltransferase 2 mice develop metabolic dysfunction-associated steatohepatitis.
J Lipid Res
December 2024
The Institute of Metabolic Disorders, Genesis Research and Development Institute, Genesis Biotechnology Group, Hamilton, NJ, USA; Rutgers Center for Lipid Research, New Jersey Institute for Food, Nutrition, and Health, Rutgers University, New Brunswick, NJ, USA. Electronic address:
Mice lacking monoacylglycerol acyltransferase 2 (mMGAT2) are resistant to diet-induced fatty liver, suggesting hMOGAT2 inhibition is a viable option for treating metabolic dysfunction-associated steatotic liver disease (MASLD)/metabolic dysfunction-associated steatohepatitis (MASH). We generated humanized hMOGAT2 mice (HuMgat2) for use in pre-clinical studies testing the efficacy of hMOGAT2 inhibitors for treating MASLD/MASH. HuMgat2 mice developed MASH when fed a steatotic diet.
View Article and Find Full Text PDFEditorial: Workflow optimisation for radiological imaging.
Front Med (Lausanne)
October 2024
School of Electronic Information and Communications, Huazhong University of Science and Technology, Wuhan, China.
Current Status of Computational Approaches for Small Molecule Drug Discovery.
J Med Chem
November 2024
Experimental Drug Development Centre, 10 Biopolis Road, #05-01, Chromos, Singapore 138670.
2024 has been an exciting year for computational sciences, with the Nobel Prize in Physics awarded for "artificial neural network" and the Nobel Prize in Chemistry presented for "protein structure prediction and design". Given the rapid advancements in Computer-Aided Drug Design (CADD) and Artificial Intelligence in Drug Discovery (AIDD), a document summarizing their current standing and future directions would be timely and relevant to the readership of . This piece of commentary aims to highlight recent developments, key challenges, and potential synergies between these fields, contributing to ongoing discussions in the literature and scientific blogs.
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