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Infectious Disorders - Drug Targets

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ISSN (Print): 1871-5265
ISSN (Online): 2212-3989

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Research Article

Molecular Docking of Phytochemical Compounds of Momordica charantia as Potential Inhibitors against SARS-CoV-2

Author(s): Yayu Mulsiani Evary*, Ayu Masyita, Arie Ariezandi Kurnianto, Rangga Meidianto Asri and Yusnita Rifai

Volume 22, Issue 3, 2022

Published on: 15 February, 2022

Article ID: e130122200221 Pages: 7

DOI: 10.2174/1871526522666220113143358

Price: $65

Abstract

Background: Coronavirus disease 2019 (COVID-19) has been recently declared as a global public health emergency, where the infection is caused by SARS-CoV-2. Nowadays, there is no specific treatment to cure this infection. The main protease (Mpro) of SARS-CoV-2 and SARS spike glycoprotein- human ACE2 complex have been recognized as suitable targets for treatment, including COVID-19 vaccines.

Objective: In our current study, we identified the potential of Momordica charantia as a prospective alternative and a choice in dietary food during a pandemic.

Materials and Methods: A total of 16 bioactive compounds of Momordica charantia were screened for activity against 6LU7 and 6CS2 with AutoDockVina.

Results: We found that momordicoside B showed the lowest binding energy compared to other compounds. In addition, kuguaglycoside A and cucurbitadienol showed better profiles for drug-like properties based on Lipinski's rule of five.

Conclusion: Our result indicates that these molecules can be further explored as promising candidates against SARS-CoV-2 or Momordica charantia can be used as one of the best food alternatives to be consumed during the pandemic.

Keywords: Antiviral, COVID-19, molecular docking, Momordica charantia, SARS-CoV-2, phytochemical compounds.

Graphical Abstract

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