Ontology highlight
ABSTRACT:
SUBMITTER: Carillo KJD
PROVIDER: S-EPMC6820118 | biostudies-literature | 2019 Dec
REPOSITORIES: biostudies-literature
Data in brief 20191009
We here reported the <sup>1</sup>H/<sup>13</sup>C chemical shifts, binding affinity and binding free energy of 1,4-pregnadiene-11β,17α,21-triol-3,20-dione (Prednisolone; Prd) interacting with metal cations. Six different Prd/Ni or Co mixtures were examined at different molar ratios (1:0, 1:0.1, 1:0.2, 1:0.3, 1:0.4 and 1:0.5). In this analysis, the <sup>1</sup>H and <sup>13</sup>C chemical shifts were measured for the Prd/cation mixtures using a Bruker AV 500 MHz spectrometer (Bruker BioSpin GmbH ...[more]