Letters in Drug Design & Discovery
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Letters in Drug Design & Discovery, 2020, 17, 1325-1327
1325
LETTER TO EDITOR
Drug Re-purposing from SARS-CoV Led the Identification of Potential
Candidate Drug Target and Alternate Drug Molecules Against SARS-
CoV-2
PV Parvati Sai Arun
1*
, Razak Hussain
2
, Yusuf Akhter
3
, Mandava Venkata Basaveswara Rao
4
, Peru-
gu Shyam
5
and Sailu Yellaboina
6
1
Department of Biotechnology, Chaitanya Bharathi Institute of Technology, Hyderabad, Telangana, India;
2
Department
of Botany, Aligarh Muslim University, Aligarh, Uttar Pradesh, India;
3
Department of Biotechnology, Babasaheb Bhim-
rao Ambedkar University, Vidya Vihar, Raebareli Road, Lucknow, India;
4
Department of Chemistry, Krishna Universi-
ty, Machilipatnam, Andhra Pradesh, India;
5
Department of Biotechnology, National Institute of Technology, Warangal,
Telangana, India;
6
Department of Medical Elementology and Toxicology, Jamia Hamdard University, New Delhi, India
Abstract: Background: SARS-CoV-2 causes COVID19 disease where there are no suitable drugs
available.
Objective: The objective of the work is to repurpose the drugs prescribed for SARS-CoV as the
drugs for the control of SARS-CoV-2.
Methods: In this work, we have used homology searches and docking methods for understanding
the mechanism of the drugs prescribed for the control of SARS-CoV on SARS-CoV-2.
Results: In our analysis, we found that the drugs Benzyl (2-Oxopropyl)carbamate, 2-[(2,4-Dichloro-
5-methyl phenyl)sulfonyl]-1,3-dinitro-5-(trifluoromethyl)benzene, S-[5-(Trifluoromethyl)-4H-1,2,4-
triazol-3-YL] 5-(phenylethynyl)furan-2-carbothioate, 4-(Dimethylamino)benzoic acid, which are
capable of inhibition of the activity of 3CL
Pro
and prevent the progression of SARS-CoV.
Conclusion: In this letter, we describe the findings of the protein ligand interactions between 3CL
Pro
of SARS-CoV, SARS-CoV-2 with Benzyl (2-oxopropyl) carbamate.
A R T I C L E H I S T O R Y
Received: May 22, 2020
Revised: June 22, 2020
Accepted: July 04, 2020
DOI:
10.2174/1570180817999200730190600
Keywords: Drugs, repurposing, SARS-CoV, SARS-CoV-2, 3CL
pro
, Benzyl(2-oxopropyl) carbamate.
1. INTRODUCTION
In December 2019, the Center for Disease Control and
prevention of China identified a novel coronavirus infection
in its citizens which later spread to many parts of the world.
The most adapted methods of controlling the disease spread
are through social distancing, isolation of the sick from the
healthy, quarantine, providing life support and medication to
the ill [1]. The use of antiviral drugs along with the different
combinations of HIV proteases inhibitors such as lopinavir
and ritonavir (currently under clinical trials) are prescribed
for the control of the SARS-CoV-2 [1]. Recent development
shows that Chloroquine and hydroxychloroquine are found
to be effective drugs for SARS-CoV-2 [2]. Genome sequenc-
ing of the SARS-CoV-2 reveals that there is about 75%-85%
similarity in the genomes with SARS-CoV and MERS-CoV
[3]. In laboratory conditions, it was observed SARS-CoV-2
*Address correspondence to this author at the Department of Biotechnology,
Chaitanya Bharathi Institute of Technology, Hyderabad, Telangana, India;
Tel: +91 7075111851E-mail: arun.uoh@gmail.com
infects the HeLa cells as observed in SARS-CoV, which
express ACE2 [4]. This observation concludes that SARS-
CoV-2 also follows a similar pattern of infection mecha-
nisms as of SARS CoV, but with an enhanced ability for
further adaptation in humans [4, 5]. As there are many simi-
larities found between the SARS CoV and SARS-CoV-2,
here the question arises, whether there are any alternate
drugs available for the treatment SARS-CoV-2 infection
which are found to be potential in the case of SARS-CoV
infection. To address the question, in this work, we used in
silico approaches and compared the proteomes of SARS-
CoV and SARS-CoV-2. It was reported that the 3CL
Pro
pro-
tein of SARS-CoV was a good target for the drugs such as
Benzyl (2-Oxopropyl)carbamate, 2-[(2,4-Dichloro-5-methyl
phenyl)sulfonyl]-1,3-dinitro-5-(trifluoromethyl)benzene, S-
[5-(Trifluoromethyl)-4H-1,2,4-triazol-3-YL] 5-(phenylethy-
nyl)furan-2-carbothioate, 4-(Dimethylamino)benzoic acid,
which are capable of inhibition of the activity of 3CL
Pro
and
prevent the progression of SARS-CoV. In our analysis, we
observed that there is the presence of 3CL
Pro
like protein in
SARS-CoV-2 which is about 96.1% identical and 98.7%
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