Title:Potential of 24-Propylcholestrol as Immunity Inducer against Infection of
COVID-19 Virus: In Silico Study Immunomodulatory Drugs
Volume: 26
Issue: 2
Author(s): Dikdik Kurnia*, Ika Wiani, Achmad Zainuddin, Devi Windaryanti and Christine Sondang Gabriel
Affiliation:
- Department of Chemistry, Faculty of Mathematics and Natural Science, Universitas Padjadjaran, Sumedang, Indonesia
Keywords:
Covid-19, 24-Propylcholesterol, Piper betle L., immunity inducer, molecular docking, binding affinity.
Abstract:
Background: COVID-19 (Coronavirus Disease 2019) caused by SARS-CoV-2 (Severe
Acute Respiratory Syndrome Coronavirus 2) has infected millions of people and caused hundreds
of thousands of deaths worldwide. However, until now no specific drug for SARS-CoV-2 infection
has been found. This prompted many researchers to explore compounds as anti-SARS-CoV-2 candidates.
One of the efforts to deal with the spread of the COVID-19 virus is to increase the body's
immune system (immune). Medicinal plants are known to have the ability as immune-modulators,
one of which is Betel leaf (Piper betle L.) which has good activity as antibacterial, antioxidant, and
anti-viral with other pharmacological effects. An in silico approach in drug development was used
to search for potential antiviral compounds as inhibitors of SARS-CoV-2 Mpro Protein, RBD, and
Non-structural Protein (NSP15).
Objective: This study aimed to determine the potential of Betel leaf compounds as immunemodulators
and good inhibitory pathways against COVID-19.
Methods: In this study, a potential screening of steroid class compounds, namely 24-
propilcholesterol was carried out as an anti-SARS-CoV-2 candidate, using an in silico approach
with molecular docking simulations for three receptors that play an important role in COVID-19,
namely Mpro SARS-CoV-2, RBD SARS-CoV-2 and a non-structural protein (NSP15) and were
compared with Azithromycin, Favipiravir and Ritonavir as positive controls.
Results: Based on the results of molecular docking simulations, compound from Betel leaf, 24-
Propylcholesterol, showed high binding affinity values for spike glycoprotein RBD and nonstructural
protein 15 (NSP15), namely -7.5 and -7.8 kcal/mol. Meanwhile, a native ligand of Mpro,
inhibitor N3, has a higher binding affinity value than 24-propylcholesterol -7.4 kcal/mol.
Conclusion: 24-Propylcholesterol compound predicted to have potential as an anti-SARS-CoV-2
compound. However, it is necessary to carry out in vitro and in vivo studies to determine the effectiveness
of the compound as an anti-SARS-CoV-2.
