The silver nanoparticles were synthesized, functionalized with afzelechin and characterized using UV-Visible spectroscopy. A difference of 20 nm was observed in surface plasmon resonance of bare and functionalized silver nanoparticles which indicates afzelechin conjugation with silver nanoparticles. The atomic force microscopy (AFM) technique was used for the determination of the size and morphology of synthesized silver nanoparticles. The afzelechin conjugated silver nanoparticles were spherical and their sizes ranged from 3 to 10 nm with an average size of 8 nm while the bare silver nanoparticles were also spherical and their sizes ranged from 3 to 10 nm with an average size of 6 nm. The average sizes were also calculated by fitting their UV-Visible absorption spectra. Fitting is based on the Mie and Mie Gans models, which deduced that afzelechin conjugated silver nanoparticles were 96.5% spherical and 3.5% spheroidal with an average size of 5 nm while bare silver nanoparticles were 100% spherical with an average size of 4 nm. Both the fitting model as well as the AFM results showed a difference of 3 nm between the sizes of afzelechin conjugated silver nanoparticles while 2 nm differences was observed for bare silver nanoparticles. The band gap energy of afzelechin conjugated silver nanoparticles and bare silver nanoparticles were calculated via Tauc’s equation and were found to be 5.1 eV and 5.4 eV, respectively. A difference of 0.3 eV was observed in band gap energies of afzelechin conjugated silver nanoparticles and bare silver nanoparticles.

Background: Viscum album (the European mistletoe) is a semi-parasitic plant, which is of high medical interest. It is widely found in Europe, Asia, and North America. It contains at least three distinct lectins (i.e. ML-I, II, and III), varying in molecular mass and specificity. Among them, ML-I is in focus of medical research for various activities, including anti-cancer activities. To understand the molecular basis for such medical applications, a few studies have already addressed the structural and functional analysis of ML-I in complex with ligands. In continuation of these efforts, we are reporting the crystal structure of ML from Viscum album in complex with the nucleic acid oxidation product 4-N-furfurylcytosine (FC) refined to 2.85 Å resolution. FC is known to be involved in different metabolic pathways related to oxidative stress and DNA modification. Methods: X-ray suitable hexagonal crystals of the ML-I/FC complex were grown within four days at 294 K using the hanging drop vapor diffusion method. Diffraction data were collected up to a resolution of 2.85 Å. The ligand affinity was verified by in-silico docking. Results: The high-resolution structure was refined subsequently to analyze particularly the active site conformation and a binding epitope of 4-N-furfurylcytosine. A distinct 2Fo-Fc electron density at the active site was interpreted as a single FC molecule. The specific binding of FC is achieved also through hydrophobic interactions involving Tyr76A, Tyr115A, Glu165A, and Leu157A of the ML-I A-chain. The binding energy of FC to the active site of ML-I was calculated as well to be -6.03 kcal mol-1. Conclusion: In comparison to other reported ML-I complexes, we observed distinct differences in the vicinity of the nucleic acid base binding site upon interaction with FC. Therefore, data obtained will provide newinsights in understanding the specificity, inhibition, and cytotoxicity of the ML-I A-chain and related RIPs.