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.

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.bmcl.2010.11.123DOI Listing

Publication Analysis

Top Keywords

chemical affinity
8
binding proteins
8
affinity matrix-based
4
matrix-based identification
4
identification prohibitin
4
prohibitin binding
4
binding protein
4
protein anti-resorptive
4
anti-resorptive sulfonyl
4
sulfonyl amidine
4

Similar Publications

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 PDF

Detection of Putative Ligand Dissociation Pathways in Proteins Using Site-Identification by Ligand Competitive Saturation.

J 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 PDF

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 PDF

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 PDF

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.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!