Evidence map›Paper›PMID 25812003›Full record

ArticleMolecular pharmaceutics2015

Response to "comment on 'structural determinants of drug partitioning in surrogates of phosphatidylcholine bilayer strata'".

Stefan Balaz

Abstract readComment
In one paragraph

Article in Molecular pharmaceutics, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it
0cells of the map it votes in
0citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

0 citing papers in PubMed.

No citing paper in PubMed yet.

4 · The record

Corrections and comments

5 · Who and what money

Authors and funding

1 author.

Stefan BalazDepartment of Pharmaceutical Sciences, Albany College of Pharmacy and Health Sciences, Vermont Campus, Colchester, Vermont 05446, United States.

Funding

Conceptual Prediction of Drug Bioactivities in Cell-Based Assays: cell-QSARR01GM080508 · NIGMS · ALBANY COLLEGE OF PHARMACY · PI BALAZ, STEFAN · 2009 to 2013
$1.3M
NIGMS NIH HHS R01 GM080508NIGMS NIH HHS R01 GM80508
6 · The paper itself

Abstract

We used the solvatochromic correlation to explain the influence of characteristics of studied compounds on the partition coefficients (P) measured using n-hexadecane (C16) and the novel headgroup surrogate (diacetyl phosphatidylcholine, DAcPC), and compared them with those in other systems, including the C16/water (W) system. The comment analyzes why our correlation for the C16/W system has the standard deviation (SD) higher than that published previously. The main reason is that in our, much smaller, data set the measured P values are complemented by the P values predicted by a reliable, unrelated method. We believe that this approach is acceptable for the aforementioned comparison. We did not use just experimental values, as suggested in the comment, because the solvatochromic correlation, although exhibiting 35% reduction in the SD, was accompanied by a sign change of one of the regression coefficients. The recommended use of special solvatochromic solute characteristics for a few compounds and replacement of a predicted PC16/W value by the experimental value resulted in improved correlations. The observed differences between our correlation and those published in the comment and in a previous article do not affect our main conclusions regarding the solvation of solutes in the surrogates (DAcPC and C16) of intrabilayer strata.

Indexed as

PhosphatidylcholinesPhosphatidylcholinesAbraham solvation modelbilayer core surrogatecorediacetyl phosphatidylcholine (DAcPC)headgroupsinterfacelinear solvation energy relationship (LSER)n-hexadecane/water partitioningpartition coefficientsolvatochromic correlationtransfer energy

Identifiers

PMID25812003
PMCPMC4690448

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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.