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Journal of Medicinal Plants Studies 2020; 8(4): 89-95
ISSN (E): 2320-3862
ISSN (P): 2394-0530
NAAS Rating: 3.53
www.plantsjournal.com
JMPS 2020; 8(4): 89-95
© 2020 JMPS
Received: 04-05-2020
Accepted: 06-06-2020
Khoshnur Jannat
Department of Biotechnology &
Genetic Engineering,
University of Development
Alternative, Lalmatia, Dhaka,
Bangladesh
Anamul Hasan
Department of Biotechnology &
Genetic Engineering,
University of Development
Alternative, Lalmatia, Dhaka,
Bangladesh
Rahat Al Mahamud
Department of Biotechnology &
Genetic Engineering,
University of Development
Alternative, Lalmatia, Dhaka,
Bangladesh
Rownak Jahan
Department of Biotechnology &
Genetic Engineering,
University of Development
Alternative, Lalmatia, Dhaka,
Bangladesh
Tohmina Afroze Bondhon
Department of Biotechnology &
Genetic Engineering,
University of Development
Alternative, Lalmatia, Dhaka,
Bangladesh
Be-nazir Farzana
Department of Biotechnology &
Genetic Engineering,
University of Development
Alternative, Lalmatia, Dhaka,
Bangladesh
Mohammed Rahmatullah
Department of Biotechnology &
Genetic Engineering,
University of Development
Alternative, Lalmatia, Dhaka,
Bangladesh
Corresponding Author:
Mohammed Rahmatullah
Department of Biotechnology &
Genetic Engineering,
University of Development
Alternative, Lalmatia, Dhaka,
Bangladesh
In silico screening of Vigna radiata and Vigna
mungo phytochemicals for their binding affinity
to SARS-CoV-2 (COVID-19) main protease
(3CL
pro
)
Khoshnur Jannat, Anamul Hasan, Rahat Al Mahamud, Rownak Jahan,
Tohmina Afroze Bondhon, Be-nazir Farzana and Mohammed
Rahmatullah
Abstract
The seeds of Vigna radiata (green gram) are a favorite dish in Bangladesh and India and also considered
an important nutritional and medicinal food in Ayurveda. According to Ayurveda, the pulse can pacify
kapha and pitta but can aggravate vata. The seeds of another pulse, Vigna mungo (black gram) are also
widely consumed in India and Bangladesh, more so by the low income groups of population. According
to Ayurveda, this pulse is good for pacifying vata. A new coronavirus infection COVID-19 or SARS-
CoV-2 have become a pandemic and as of June 28, 2020, have infected 10,080,224 persons and caused
501,262 deaths throughout the world. The statistics for USA, India and Bangladesh are, respectively,
2,596,537 infections and 128,152 deaths, 529,577 infections and 16,103 deaths, and 133,978 infections
and 1,695 deaths. The respective populations for these three countries are 328.2 million (2019 figure),
1.353 billion (2018 figure), and 161.4 million (2018 figure). Thus despite the higher poverty level and
population density, India and Bangladesh have managed to keep COVID infection levels much lower
than an advanced country like USA. Although there can be a number of factors behind low COVID
levels in India and Bangladesh, dietary habits may be one of them. The two pulses are taken on a daily
basis and more often more than one times per day in India and Bangladesh by all sections of the
population. In silico screening of the major phytochemicals of the two pulses revealed that a number of
phytochemicals present in the pulses have high binding affinities for the C-3 like main protease of
COVID-19, which is vital for viral replication. Although a definite conclusion cannot be reached without
doing anti-viral tests, it is plausible that inhibition of the protease by the phytochemicals present in the
two pulses may contribute to the low incidences of COVID-19 infections in India and Bangladesh.
Keywords: Vigna radiata, Vigna mungo, COVID-19, phytochemicals, in silico
Introduction
Human coronaviruses are associated with multiple forms of respiratory diseases including
cold, pneumonia, and bronchitis
[1]
. Coronaviruses are so named because the viruses contain
spike (S) protein on their surfaces resembling a corona. Seven known HCoVs have been
identified so far, namely HCoV-229E, HCoV-NL63, HCoV-OC43, HCoV-HKU1, severe
acute respiratory syndrome coronavirus (SARS-CoV), Middle East respiratory syndrome
coronavirus (MERS-CoV), and SARS-CoV-2 or COVID-19, which emerged in December
2019 in Wuhan, China. Four HCoVs (HCoV-229E, HCoV-NL63, HCoV-OC43 and HCoV-
HKU1) are common and globally circulated in the human population and contribute to
approximately one-third of common cold infections in humans every year
[2]
, which usually
does not get complicated and passes off in a week or so with mild symptoms of cough, cold
and fever and easily dismissed as ‘viral flu’.
Coronaviruses attach to specific receptors on the human cell through their spike (S) protein.
For SARS-CoV and SARS-CoV-2, the receptor is the angiotensin-converting enzyme (ACE)-
2. Following receptor binding, nucleocapsid is released into the cytoplasm of the host cell
[3]
.
The genome of SARS and SARS-CoV-2 encodes two large polyproteins, pp1a and 5 pp1ab.
These polyproteins are cleaved and transformed in mature non-structural proteins (NSPs) by
the two proteases 3CL
pro
(3C-like protease or chymotrypsin-like protease) and PL
pro
(Papain
Like Protease) encoded by the open reading frame 1.