In order to identify the binding proteins to anti-resorptive 5-chloro-1-(2,6-dimethylpiperidin-1-yl)-N-tosylpentan-1-imine (1), the chemical affinity matrix for the compound 1 (2b) was designed and synthesized. Using 2b-based chemical proteomics, prohibitin was identified as one of strong binding proteins for 2b.
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http://dx.doi.org/10.1016/j.bmcl.2010.11.123 | DOI Listing |
Food Chem
December 2024
Institute of BioPharmceutical Research, Liaocheng University, Liaocheng 252059, China; School of Chemistry and Chemical Engineering, Liaocheng University, Liaocheng 252059, China. Electronic address:
In this study, ultrasound-assisted glycated ovalbumin (G-UOVA) based on natural deep eutectic solvents (NADES) was prepared using response surface optimization. The binding affinity of (-)-gallocatechin gallate (GCG) to native OVA (NOVA), ultrasound treated OVA (UOVA), glycated OVA (GOVA), and G-UOVA followed G-UOVA > GOVA > UOVA > NOVA. The effects of various modifications and GCG binding on the secondary structure, particle size, and thermal stability of NOVA were investigated.
View Article and Find Full Text PDFJ Chem Inf Model
December 2024
Computer-Aided Drug Design Center, Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland Baltimore, Baltimore, Maryland 21201, United States.
Drug efficacy often correlates better with dissociation kinetics than binding affinity alone. To study binding kinetics computationally, it is necessary to identify all of the possible ligand dissociation pathways. The site identification by ligand competitive saturation (SILCS) method involves the precomputation of a set of maps (FragMaps), which describe the free energy landscapes of typical chemical functionalities in and around a target protein or RNA.
View Article and Find Full Text PDFSynapse
January 2025
Department of Biochemistry & Molecular Biology, Bangabandhu Sheikh Mujibur Rahman Science and Technology University, Gopalganj, Bangladesh.
Sesamol (SES) and linalool (LIN) are aromatic compounds that have neuroprotective effects. The main purpose of this study is to evaluate the anxiolytic activity of LIN and SES co-treatment on Swiss albino mice and analyze its possible mechanism through in silico study. In this sense, the mice were given the gamma-aminobutyric acid type A receptors (GABA) agonist diazepam (DZP; 3 mg/kg, p.
View Article and Find Full Text PDFMetabolites
December 2024
Graduate Institute of Biomedical Sciences, China Medical University, Taichung 40402, Taiwan.
Covalent modification of proteins at specific, predetermined sites is essential for advancing biological and biopharmaceutical applications. Site-selective labeling techniques for protein modification allow us to effectively track biological function, intracellular dynamics, and localization. Despite numerous reports on modifying target proteins with functional chemical probes, unique organic reactions that achieve site-selective integration without compromising native functional properties remain a significant challenge.
View Article and Find Full Text PDFMar Drugs
December 2024
Plant Biotechnology Team, Faculty of Sciences, Abdelmalek Essaadi University, Tetouan 93002, Morocco.
Marine algae are renowned for their health benefits due to the presence of functional bioactive compounds. In this context, this study aims to valorize the extract of a seaweed, (), through phytochemical characterization using liquid chromatography-mass spectrometry (HPLC-MS), as well as in vitro and in silico evaluation of its biological activities (antioxidant and antimicrobial). Phytochemical characterization revealed that the ethanolic extract of (DdEx) is rich in phenolic compounds, with a total of 22 phycocompounds identified.
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