Curcumin from Curcuma longa L. as Dual Inhibitors Against Indonesian SARS-CoV-2 Isolates: A Molecular Docking Study

Abstract

Using Lipinski's rule of five on the SCFBIO web server (http://www.scfbio-iitd. res.in/software/ drugdesign/lipinski.jsp), curcumin was utilized for further drug-likeness analysis. It was regarded as a successful forecast when two minimal guidelines ABSTRACT COVID-19 has become a global pandemic since 2020. The search for promising drugs based on the abundant herbal ingredients in Indonesia is one of the breakthroughs. Curcumin is a chemical compound with various potentials such as antioxidant, anti-inflammatory and antiviral. We conducted a molecular docking analysis to determine the potential of curcumin against SARS-CoV-2 non-structural and structural proteins, such as the main protease and spike protein. This study used the compound of curcumin (PubChem CID: 969516) from Curcuma longa L. or turmeric and two Indonesian SARS-CoV-2 isolates that have been deposited in the GISAID database (hCoV-19/Indonesia/JI-PNF-217315/2021 -EPI_ ISL_12777089 or lineage B.1.617.2 and hCoV-19/Indonesia/JI-PNF-211373/2021 -EPI_ISL_6425649 or lineage B.1.470). In addition, we used molnupiravir (PubChem CID: 145996610) as a drug control. We performed molecular docking analysis with PyRx software 0.9.9 (academic license) and visualization of molecular docking results with PyMOL software 2.5.4 (academic license). The results of this study found that curcumin had good potential against main protease and spike protein compared to the drug (control). In summary, we suggested that curcumin is a potential drug candidate against SARS-CoV-2. However, there is a need for future wet laboratory-based pre-clinical research such as in vitro and in vivo.

Ethnobotanical survey of medicinal plants used by people cured of SARS-CoV-2 in the center of Algeria

“…Concerning other plants, several molecular docking and in vitro studies showed the probable anti-SARS-CoV-2 effect of their compounds. Some compounds can act by inhibition of SARS-CoV-2 M pro , such as S-Allylcysteine sulfoxide (Alliin), diallyl trisulfide, diallyl disulfide, and diallyl sulfide of Allium sativum (Pandey et al 2021), quercetin, oleanolic acid, and cyanidin of Allium cepa (Fitriani et al 2020, Bondhon et al 2021, zingiberenol, zingiberol, and 6-gingerol of Zingiber officinale (Rathinavel et al 2020, Rabie 2022, eucalyptol (1,8 cineole) of Eucalyptus globulus (Sharma 2020, Torres Neto et al 2022, Apigenine-7-glucoside and oleuropein of Olea europaea (Khaerunnisa et al 2020), nigellidine and α-hederin of Nigella sativa (Bouchentouf & Missoum 2020), tangshenoside III, rutin, and hesperidin of Saussurea costus (Houchi & Messasma 2022), and curcumin of Curcuma longa (Nidom et al 2023).…”

An In Silico Study: Phytochemical Compounds Screening of Garcinia atroviridis Griff. ex T. Anders as Anti-DENV

“…Drug-likeness analysis results must be no violation and ≥0.50 as well as high score for pharmacokinetics. 22 Positive predictions are distinguished to fulfill the criteria of each category with check mark (√) and will be continued to the next step. 21…”

Curcumin-mediated alleviation of dextran-induced leaky gut in Drosophila melanogaster

“…The combination of Moringa oleifera Lam. and C. longa is predicted to have antiviral and anti-inflammatory activity through a dual inhibitory mechanism involving cryptochlorogenic acid and curcumin [13][14][15][16]. One study reported that curcumin may mitigate damage to the intestinal barrier by inhibiting inflammatory responses and attenuating stress injury [17].…”