(2017). New pyrimidine based ligand capped gold and platinum nano particles: Synthesis, characterization, antimicrobial, antioxidant, DNA interaction and in vitro anticancer activities. Journal of Photochemistry and Photobiology B: Biology, 176, 44-53. doi:10.1007/s10895-017-2118-y...
Adenosine triphosphate (ATP) is an endogenous ligand that is widely distributed throughout the human body. ATP is involved in numerous functions, including cell growth, hearth rhythm, immune function, sleep regulation and angiogenesis. Though there are four subtypes of adenosine receptor, only A2AR ...
Computer-Based Ligand Design and Synthesis of Some New Sulfonamides Bearing Pyrrole or Pyrrolopyrimidine Moieties Having Potential Antitumor and Radioprote... et al.Computer -based ligand design and synthesis of some new sulfonamides bearing pyrrole or pyrrolopyrimidine moieties having potential antitumor ...
In addition, the analysis of individual residue contribution and protein–ligand binding mode show that the three functional groups on R 1, R 2, and R 3 of the compound 3a can mimic the spatial orientation of the side chains of Phe19, Trp23, and Leu26 of p53, respectively. The obtained...
However, displaying a high ligand efficiency, these low molecular weight structures can be further optimized to produce new CSF1R inhibitors with improved metabolic stability and cell‐based potencies. Experimental Section General Procedure A: Negishi cross‐coupling: Preparation of benzylzinc bromides: ...
Single crystal X-ray analysis of compounds H2pmdc·2H2O (1), KHpmdc (2), and K2pmdc (3) shows that the pyrimidine-4,6-dicarboxylate (pmdc) dianion presents an almost planar geometry which confers a potential capability to act as a bis-bidentate bridging ligand, and therefore, to construc...
Preclinical Imaging Evaluation of Novel TSPO-PET Ligand 2-(5,7-Diethyl-2-(4-(2-[18F]fluoroethoxy)phenyl)pyrazolo[1,5-a]pyrim... Purpose Translocator protein (TSPO) concentrations are elevated in glioma, suggesting a role for TSPO positron emission tomography (PET) imaging in this se... ...
Hydrogen bonds were added to each molecule and check the hybridization level and valency of atoms in the ligand. Clean hybridization option was done to make sure of the exact hybridization pattern of the molecule. Final geometry optimization was done by using semi empirical Quantum mechanics PM3 ...
Surprisingly, attempts to crystallize CdLCl 2 from EtOH/Me 2CO mixture afforded single crystals of a compound, having 1:2 metal-to-ligand stoichiometry, CdL 2Cl 2·0.5Me 2CO·1.5H 2O, instead of a complex with 1:1 stoichiometry. At the same time, crystallization of CdL 2Cl 2 from Me...
enzyme was studied in the current investigation. Both investigations show considerable inhibition of the tyrosinase enzyme, which is validated by MD simulation studies.Figure 13andFigure 14depicted the RMSD and RMSF patterns of a protein (mushroom tyrosinase) and a protein–ligand complex, respectively...