» Articles » PMID: 35399958

  Discovery of Non-psychoactive Scaffolds in Cannabis Halting SARS-CoV-2 Host Entry and Replication Machinery

Overview
Journal Future Virol
Specialty Microbiology
Date 2022 Apr 11
PMID 35399958
Authors
Affiliations
Soon will be listed here.
Abstract

Coronavirus disease still poses a global health threat which advocates continuous research efforts to develop effective therapeutics. We screened out an array of 29 cannabis phytoligands for their viral spike-ACE2 complex and main protease (M) inhibitory actions by modeling to explore their possible dual viral entry and replication machinery inhibition. Physicochemical and pharmacokinetic parameters (ADMET) formulating drug-likeness were computed. Among the studied phytoligands, cannabigerolic acid , cannabigerol , and its acid methyl ether possessed the highest binding affinities to SARS-CoV-hACE2 complex essential for viral entry. Canniprene , cannabigerolic methyl ether and cannabichromene were the most promising M inhibitors. These non-psychoactive cannabinoids could represent plausible therapeutics with added-prophylactic value as they halt both viral entry and replication machinery.

Citing Articles

Establishment of a Yeast Two-Hybrid-Based High-Throughput Screening Model for Selection of SARS-CoV-2 Spike-ACE2 Interaction Inhibitors.

Li D, You B, Guo K, Zhou W, Li Y, Wang C Int J Mol Sci. 2025; 26(2.

PMID: 39859397 PMC: 11765512. DOI: 10.3390/ijms26020678.


Therapeutic Potential and Predictive Pharmaceutical Modeling of Stilbenes in .

OCroinin C, Guerra A, Doschak M, Lobenberg R, Davies N Pharmaceutics. 2023; 15(7).

PMID: 37514127 PMC: 10386382. DOI: 10.3390/pharmaceutics15071941.


Repurposing 1,2,4-oxadiazoles as SARS-CoV-2 PLpro inhibitors and investigation of their possible viral entry blockade potential.

Ayoup M, ElShafey M, Abdel-Hamid H, Ghareeb D, Abu-Serie M, A Heikal L Eur J Med Chem. 2023; 252:115272.

PMID: 36966652 PMC: 10008816. DOI: 10.1016/j.ejmech.2023.115272.

References
1.
Singh R, Bhardwaj V, Sharma J, Purohit R, Kumar S . In-silico evaluation of bioactive compounds from tea as potential SARS-CoV-2 nonstructural protein 16 inhibitors. J Tradit Complement Med. 2021; 12(1):35-43. PMC: 8172245. DOI: 10.1016/j.jtcme.2021.05.005. View

2.
Veber D, Johnson S, Cheng H, Smith B, Ward K, Kopple K . Molecular properties that influence the oral bioavailability of drug candidates. J Med Chem. 2002; 45(12):2615-23. DOI: 10.1021/jm020017n. View

3.
Shady N, Khattab A, Ahmed S, Liu M, Quinn R, Fouad M . Hepatitis C Virus NS3 Protease and Helicase Inhibitors from Red Sea Sponge () Species in Green Synthesized Silver Nanoparticles Assisted by in Silico Modeling and Metabolic Profiling. Int J Nanomedicine. 2020; 15:3377-3389. PMC: 7231760. DOI: 10.2147/IJN.S233766. View

4.
Abassi Z, Skorecki K, Heyman S, Kinaneh S, Armaly Z . Covid-19 infection and mortality: a physiologist's perspective enlightening clinical features and plausible interventional strategies. Am J Physiol Lung Cell Mol Physiol. 2020; 318(5):L1020-L1022. PMC: 7200872. DOI: 10.1152/ajplung.00097.2020. View

5.
Yazdanian M, Glynn S, Wright J, Hawi A . Correlating partitioning and caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res. 1998; 15(9):1490-4. DOI: 10.1023/a:1011930411574. View