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All Studies   Meta Analysis    Recent:   

In Silico investigation of the effects of curcuminoids on the spike protein of the omicron variant of SARS-CoV-2

Öztürkkan et al., Baku State University Journal of Chemistry and Material Sciences, 1:2
May 2024  
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Curcumin for COVID-19
15th treatment shown to reduce risk in February 2021
 
*, now with p = 0.0000000096 from 27 studies.
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In Silico study showing potential inhibition of SARS-CoV-2 omicron variant spike protein by curcuminoids. Authors performed molecular docking studies to examine interactions between curcumin, demethoxycurcumin, and bis-demethoxycurcumin with the spike protein of the SARS-CoV-2 omicron variant. All three compounds exhibited good binding affinity, with curcumin showing the strongest interaction. The compounds interacted with the spike protein through hydrogen bonding, electrostatic interactions, and hydrophobic interactions. Specific amino acid residues involved in these interactions were identified for each compound. Pharmacokinetic analysis revealed all three compounds were compatible with Lipinski's rule of five, with high gastrointestinal absorption. Authors suggest these compounds, particularly curcumin, may have potential as therapeutic agents against the omicron variant.
45 preclinical studies support the efficacy of curcumin for COVID-19:
In Silico studies predict inhibition of SARS-CoV-2 with curcumin or metabolites via binding to the spikeA,5,10,12,18,21 (and specifically the receptor binding domainB,8,11,14), MproC,5,7,9-11,13,14,16,19,21,22,24,35, RNA-dependent RNA polymeraseD,11,20, ACE2E,12,13,15, nucleocapsidF,6,23, nsp10G,23, and helicaseH,25 proteins. In Vitro studies demonstrate inhibition of the spikeA,30 (and specifically the receptor binding domainB,38), MproC,17,30,35,37, ACE2E,38, and TMPRSS2I,38 proteins. In Vitro studies demonstrate efficacy in Calu-3J,36, A549K,30, 293TL,1, HEK293-hACE2M,17,28, 293T/hACE2/TMPRSS2N,29, Vero E6O,7,11,21,28,30-32,34,36, and SH-SY5YP,27 cells. Curcumin is predicted to inhibit the interaction between the SARS-CoV-2 spike protein receptor binding domain and the human ACE2 receptor for the delta and omicron variants8, decreases pro-inflammatory cytokines induced by SARS-CoV-2 in peripheral blood mononuclear cells34, and alleviates SARS-CoV-2 spike protein-induced mitochondrial membrane damage and oxidative stress1.
Öztürkkan et al., 30 May 2024, peer-reviewed, 4 authors.
In Silico studies are an important part of preclinical research, however results may be very different in vivo.
This PaperCurcuminAll
IN SILICO INVESTIGATION OF THE EFFECTS OF CURCUMINOIDS ON THE SPIKE PROTEIN OF THE OMICRON VARIANT OF SARS COV-2
Füreya Elif Öztürkkan, Giray Buğra, Swah Mohd Nashre-Ul-Islam, Hacali Necefoğlu
Curcumin, the dried ground rhizome of Curcuma longa Linn., is known as zerdeçal in Turkish, Haldi in Hindi, turmeric in English, and ukon in Japanese. Many biological active properties of this plant, which is widely used in Asian medicine, are known. Commercially known curcumin, on the other hand, contains 77 % of curcumin, along with demetoxycurcumin and bis-demethoxycurcumin. Curcumin and its derivatives belong to the group of diarylheptanoids. The effects of curcumin and its two other derivatives, which have been the subject of many studies thanks to their unique therapeutic ability, on the Spike protein of the SARS-CoV-2 Omicron variant, which caused the pandemic to be declared at the beginning of 2020, were examined within the scope of this study. According to the results obtained, the binding energies of curcumin, demetoxycurcumin, and bis-demethoxycurcumin to the Spike protein of the SARS-CoV-2 Omicron variant are -6.6, -5.5, and -6.0 kcal/mol, respectively. It was determined that curcumin, demetoxycurcumin, and bis-demethoxycurcumin interact with the Spike protein of the SARS-CoV-2 Omicron variant through hydrogen bonding, electrostatic interactions, and hydrophobic interactions. These biologically active molecules are thought to be agents that can moderately inhibit the Spike protein of the SARS-CoV-2 Omicron variant. In addition, the pharmacokinetic and toxicological properties of these three compounds were calculated with the help of online databases.
References
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