Moringa oleifera and Curcuma longa versus SARS-CoV-2

J Pharm Pharmacogn Res 10(1): 138-146, 2022.

DOI: https://doi.org/10.56499/jppres21.1174_10.1.138

Original Article

Herbal combination from Moringa oleifera Lam. and Curcuma longa L. as SARS-CoV-2 antiviral via dual inhibitor pathway: A viroinformatics approach

[Combinación de hierbas de Moringa oleifera Lam. y Curcuma longa L. como antiviral SARS-CoV-2 a través de la vía del inhibidor dual: Un enfoque de viroinformática]

Viol Dhea Kharisma^1,2#, Aggy Agatha^2,3, Arif Nur Muhammad Ansori^4#, Muhammad Hermawan Widyananda^2,5, Wahyu Choirur Rizky⁶, Tim Godefridus Antonius Dings⁷, Marina Derkho⁸, Irina Lykasova⁸, Yulanda Antonius⁹, Imam Rosadi¹⁰, Rahadian Zainul^11*

¹Master Program in Biology, Department of Biology, Faculty of Mathematics and Natural Sciences, Brawijaya University, Malang, Indonesia.

²Generasi Biologi Indonesia Foundation, Gresik, Indonesia.

³School of Life Sciences and Technology, Bandung Institute of Technology, Bandung, Indonesia.

⁴Doctoral Program in Veterinary Science, Faculty of Veterinary Medicine, Universitas Airlangga, Surabaya, Indonesia.

⁵Laboratory of Animal Physiology, Structure, and Growth, Department of Biology, Faculty of Mathematics and Natural Sciences, Brawijaya University, Malang, Indonesia.

⁶College of Medicine, Sulaiman Al Rajhi University, Al Bukayriyah, Qassim, Saudi Arabia.

⁷College of Medicine, Maastricht University, Maastricht, The Netherlands.

⁸Department of Natural Sciences, South-Urals State Agrarian University, Troitsk, Russian Federation.

⁹Faculty of Biotechnology, University of Surabaya, Surabaya, Indonesia.

¹⁰Department of Biology, Faculty of Mathematics and Natural Sciences, Mulawarman University, Samarinda, Indonesia.

¹¹Department of Chemistry, Faculty of Mathematic and Natural Sciences, Universitas Negeri Padang, Padang, Indonesia.

^#These authors contributed equally to this work.

*E-mail: rahadianzmsiphd@fmipa.unp.ac.id

Abstract

Context: The COVID-19 outbreak is caused by the transmission and infection of SARS-CoV-2 at the end of 2019. It has led many countries to implement lockdown policies to prevent the viral spreading. Problems arise in a COVID-19 patient because of viral infection that leads to a systemic response in the immune system, specifically due to cytokine storm. Moreover, the antiviral drugs that have not been found. Indonesia had a variety of traditional medicines, such as is ‘jamu’. It consists of a mixture of natural ingredients such as Moringa oleifera Lam. and Curcuma longa L.

Aims: To identify the activity of dual inhibitors as antiviral and anti-inflammatory agents from herbal combination compounds.

Methods: Sample was collected from PubChem (NCBI, USA) and Protein Data Bank (PDB), then drug-likeness analysis using Lipinski rule of five in SCFBIO web server and bioactive probability analysis of bioactive compounds were conducted by PASS web server. Furthermore, the blind docking method was performed using PyRx 0.8 software to determine the binding activity and molecular interaction by PoseView web server and PyMol software v2.4.1 (Schrödinger, Inc, USA).

Results: Cryptochlorogenic acid and curcumin have been computationally proven as dual inhibitors for antivirals by inhibiting Mpro SARS-CoV-2 and as anti-inflammatory through inhibition of NFKB1 activity. However, the results are merely computational so that it must be validated through a wet lab research.

Conclusions: The combination of Moringa oleifera Lam. and Curcuma longa L. is predicted to have antiviral and anti-inflammatory activity through dual inhibitor mechanism played by cryptochlorogenic acid and curcumin.

Keywords: COVID-19; Curcuma longa; Moringa oleifera; Mpro; NFKB1.

Resumen

Contexto: El brote de COVID-19 es causado por la transmisión e infección del SARS-CoV-2. En un paciente con COVID-19 surgen problemas debido a una infección viral que conduce a una respuesta inmunológica sistémica. Además, no se han encontrado medicamentos antivirales. En Indonesia existe una preparación tradicional conocida como el “jamu”. Esta es una mezla de Moringa oleifera Lam. y Curcuma longa L.

Objetivos: Identificar la actividad de inhibidores duales como agentes antivirales y antiinflamatorios de compuestos de combinación de hierbas.

Métodos: Se recogió una muestra de PubChem (NCBI, EE. UU.) y Protein Data Bank (PDB), luego se realizó un análisis de similitud con el fármaco utilizando la regla de cinco de Lipinski en el servidor web SCFBIO y el servidor web PASS realizó un análisis de probabilidad bioactiva de los compuestos bioactivos. Además, el método de acoplamiento ciego se realizó utilizando el software PyRx 0.8 para determinar la actividad de unión y la interacción molecular mediante el servidor web PoseView y el software PyMol v2.4.1 (Schrödinger, Inc, EE. UU.).

Resultados: Se ha comprobado computacionalmente que el ácido criptoclorogénico y la curcumina son inhibidores duales de los antivirales al inhibir el Mpro SARS-CoV-2 y como antiinflamatorios mediante la inhibición de la actividad de NFKB1. Sin embargo, los resultados son meramente computacionales, por lo que deben validarse mediante una investigación de laboratorio húmedo.

Conclusiones: Se predice que la combinación de Moringa oleifera Lam. y Curcuma longa L. tiene actividad antiviral y antiinflamatoria a través de un mecanismo inhibidor dual desempeñado por el ácido criptoclorogénico y la curcumina.

Palabras Clave: COVID-19; Curcuma longa; Moringa oleifera; Mpro; NFKB1.

Citation Format: Kharisma VD, Aghata A, Ansori ANM, Widyananda MH, Rizky WC, Dings TGA, Derkho M, Lykasova I, Antonius Y, Rosadi I, Zainul R (2022) Herbal combination from Moringa oleifera Lam. and Curcuma longa L. as SARS-CoV-2 antiviral via dual inhibitor pathway: A viroinformatics approach. J Pharm Pharmacogn Res 10(1): 138–146. https://doi.org/10.56499/jppres21.1174_10.1.138

© 2022 Journal of Pharmacy & Pharmacognosy Research (JPPRes)