Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Structure of benzothiadiazine at zwitterionic phospholipid cell
  membranes   The use of drugs derived from benzothiadiazine, which is a bicyclic
heterocyclic benzene derivative, has become a widespread treatment for diseases
such as hypertension (treated with diuretics such as bendroflumethiazide or
chlorothiazide), low blood sugar (treated with non-diuretic diazoxide) or the
human immunodeficiency virus, among others. In this work we have investigated
the interactions of benzothiadiazine with the basic components of cell
membranes and solvents such as phospholipids, cholesterol, ions and water. The
analysis of the mutual microscopic interactions is of central importance to
elucidate the local structure of benzothiadiazine as well as the mechanisms
responsible for the access of benzothiadiazine to the interior of the cell. We
have performed molecular dynamics simulations of benzothiadiazine embedded in
three different model zwitterionic bilayer membranes made by
dimyristoilphosphatidylcholine, dioleoylphosphatidylcholine, 1,2-
dioleoyl-sn-glycero-3-phosphoserine and cholesterol inside aqueous
sodium-chloride solution in order to systematically examine microscopic
interactions of benzothiadiazine with the cell membrane at liquid-crystalline
phase conditions. From data obtained through radial distribution functions,
hydrogen-bonding lengths and potentials of mean force based on reversible work
calculations, we have observed that benzothiadiazine has a strong affinity to
stay at the cell membrane interface although it can be fully solvated by water
in short periods of time. Furthermore, benzothiadiazine is able to bind lipids
and cholesterol chains by means of single and double hydrogen-bonds of
different characteristic lengths.

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The categories of this paper are: cs
16
The categories of this paper are: stat
14
The categories of this paper are: math-ph
33
The categories of this paper are: plasm-ph
26
The categories of this paper are: bayes-an
6
The categories of this paper are: astro-ph
0
The categories of this paper are: hep-ph
28
The categories of this paper are: alg-geom
20
The categories of this paper are: acc-phys
21
The categories of this paper are: adap-org
11
The categories of this paper are: hep-lat
36
The categories of this paper are: cmp-lg
22
The categories of this paper are: chao-dyn
9
The categories of this paper are: nlin
29
The categories of this paper are: funct-an
30
The categories of this paper are: q-alg