Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Repurposing the Combination Drug of Favipiravir, Hydroxychloroquine and
  Oseltamivir as a Potential Inhibitor against SARS-CoV-2: A Computational
  Study   The virus SARS-CoV-2 has created a situation of global emergency all over the
world from the last few months. We are witnessing a helpless situation due to
COVID-19 as no vaccine or drug is effective against the disease. In the present
study, we have tested the applicability of some combination drugs against
COVID-19. We have tried to understand the mechanism of action of some
repurposed drugs: Favipiravir (F), Hydroxychloroquine (H) and Oseltamivir (O).
The ADME analysis have suggested strong inhibitory possibility of F, H, O
combination towards receptor protein of $3CL^{pro}$ of SARS-CoV-2 virus. The
strong binding affinity, number of hydrogen bond interaction between inhibitor,
receptor and lower inhibition constant computed from molecular docking
validated the better complexation possibility of F+H+O: $3CL^{pro}$
combination. Various thermodynamical output from Molecular dynamics (MD)
simulations like potential energy ($E_g$), temperature (T), density, pressure,
SASA energy, interaction energies, Gibbs free energy ($\Delta G_{bind}$) etc.,
also favored the complexation between F+H+O and CoV-2 protease. Our In-Silico
results have recommended the strong candidature of combination drugs
Favipiravir, Hydroxychloroquine and Oseltamivir as a potential lead inhibitor
for targeting SARS-CoV-2 infections.

14
The categories of this paper are: math-ph
36
The categories of this paper are: cmp-lg
4
The categories of this paper are: cond-mat
13
The categories of this paper are: quant-ph
21
The categories of this paper are: adap-org
33
The categories of this paper are: plasm-ph
7
The categories of this paper are: hep-th
19
The categories of this paper are: eess
37
The categories of this paper are: supr-con
32
The categories of this paper are: atom-ph
8
The categories of this paper are: hep-ex
24
The categories of this paper are: dg-ga
11
The categories of this paper are: hep-lat
18
The categories of this paper are: econ
35
The categories of this paper are: mtrl-th
6
The categories of this paper are: astro-ph