Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Antiviral Drug-Membrane Permeability: the Viral Envelope and Cellular
  Organelles   To shorten the time required to find effective new drugs, like antivirals, a
key parameter to consider is membrane permeability, as a compound intended for
an intracellular target with poor permeability will have low efficacy. Here, we
present a computational model that considers both drug characteristics and
membrane properties for the rapid assessment of drugs permeability through the
coronavirus envelope and various cellular membranes. We analyze 79 drugs that
are considered as potential candidates for the treatment of SARS-CoV-2 and
determine their time of permeation in different organelle membranes grouped by
viral baits and mammalian processes. The computational results are correlated
with experimental data, present in the literature, on bioavailability of the
drugs, showing a negative correlation between fast permeation and most
promising drugs. This model represents an important tool capable of evaluating
how permeability affects the ability of compounds to reach both intended and
unintended intracellular targets in an accurate and rapid way. The method is
general and flexible and can be employed for a variety of molecules, from small
drugs to nanoparticles, as well to a variety of biological membranes.

12
The categories of this paper are: nucl-th
2
The categories of this paper are: math
9
The categories of this paper are: nlin
4
The categories of this paper are: cond-mat
15
The categories of this paper are: nucl-ex
17
The categories of this paper are: q-fin
27
The categories of this paper are: comp-gas
6
The categories of this paper are: astro-ph
13
The categories of this paper are: quant-ph
1
The categories of this paper are: cs
21
The categories of this paper are: adap-org
37
The categories of this paper are: supr-con
3
The categories of this paper are: physics
30
The categories of this paper are: q-alg
7
The categories of this paper are: hep-th
18
The categories of this paper are: econ