PMC:6194691 / 51084-51884 JSONTXT

{"project":"MyTest","denotations":[{"id":"30340614-11259830-30706078","span":{"begin":647,"end":650},"obj":"11259830"}],"namespaces":[{"prefix":"_base","uri":"https://www.uniprot.org/uniprot/testbase"},{"prefix":"UniProtKB","uri":"https://www.uniprot.org/uniprot/"},{"prefix":"uniprot","uri":"https://www.uniprot.org/uniprotkb/"}],"text":"Correlating the passive permeabilities for substances at the blood–brain barrier with their partition coefficients for transfer from water to n-octanol has the virtue of focussing attention on the most critical aspect of the passive permeation process, the free energy cost of removing the solute from water and inserting it into a relatively hydrophobic environment. However, these correlations have been thought too imprecise to use as a criteria for selecting candidates to consider in a drug discovery setting. There have been many attempts to do better, some in terms of a set of rules analogous to the “rule of 5” for intestinal absorption [164], some using better estimates of the free energy cost for solutes to reach the rate limiting step of the transport, and some using a mixture of both."}

{"project":"2_test","denotations":[{"id":"30340614-11259830-30706078","span":{"begin":647,"end":650},"obj":"11259830"}],"text":"Correlating the passive permeabilities for substances at the blood–brain barrier with their partition coefficients for transfer from water to n-octanol has the virtue of focussing attention on the most critical aspect of the passive permeation process, the free energy cost of removing the solute from water and inserting it into a relatively hydrophobic environment. However, these correlations have been thought too imprecise to use as a criteria for selecting candidates to consider in a drug discovery setting. There have been many attempts to do better, some in terms of a set of rules analogous to the “rule of 5” for intestinal absorption [164], some using better estimates of the free energy cost for solutes to reach the rate limiting step of the transport, and some using a mixture of both."}