Chemistry is a science major with cience and engineering. The main research directions are chemical synthesis, new energy materials, nano-ceramics, nano-hybrid composite materials, preparation and modification of special coatings, In an article, 126456-43-7, name is (1S,2R)-1-Amino-2,3-dihydro-1H-inden-2-ol, introducing its new discovery. SDS of cas: 126456-43-7
A series of C(2)-symmetric compounds with a mannitol-based scaffold has been investigated, both theoretically and experimentally, as Plm II inhibitors. Four different stereoisomers with either benzyloxy or allyloxy P1/P1′ side chains were studied. Computational ranking of the binding affinities of the eight compounds was carried out using the linear interaction energy (LIE) method relying on a complex previously determined by crystallography. Within both series of isomers the theoretical binding energies were in agreement with the enzymatic measurements, illustrating the power of the LIE method for the prediction of ligand affinities prior to synthesis. The structural models of the enzyme-inhibitor complexes obtained from the MD simulations provided a basis for interpretation of further structure-activity relationships. Hence, the affinity of a structurally similar ligand, but with a different P2/P2′ substituent was examined using the same procedure. The predicted improvement in binding constant agreed well with experimental results.
The design and synthesis of related molecules that are more effective, more selective, and less toxic than aspirin are important objectives of biomedical research.SDS of cas: 126456-43-7, If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about 126456-43-7, in my other articles.
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Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis