Shamsian, Shakib and Nabipour, Iraj and Mohebbi, Gholamhossein and Baghban, Neda and Zare, Masoud and Zandi, Keivan and Vazirizadeh, Amir and Delattre, Cedric (2024) In-vitro and in-silico anti-HSV-1 activity of a marine steroid from the jellyfish Cassiopea andromeda venom. Microbial Pathogenesis, 186. ISSN 1096-1208, DOI https://doi.org/10.1016/j.micpath.2023.106486.
Full text not available from this repository.Abstract
In this study, we investigated the potential in vitro anti-HSV-1 activities of the Cassiopea andromeda jellyfish tentacle extract (TE) and its fractions, as well as computational work on the thymidine kinase (TK) inhibitory activity of the identified secondary metabolites. The LD50, secondary metabolite identification, preparative and analytical chromatography, and in silico TK assessment were performed using the Spearman-Karber, GC-MS, silica gel column chromatography, RP-HPLC, LC-MS, and docking methods, respectively. The antiviral activity of TE and the two purified compounds Ca2 and Ca7 against HSV-1 in Vero cells was evaluated by MTT and RT-PCR assays. The LD50 (IV, mouse) values of TE, Ca2, and Ca7 were 104.0 +/- 4, 5120 +/- 14, and 197.0 +/- 7 (mu g/kg), respectively. They exhibited extremely effective antiviral activity against HSV-1. The CC50 and MNTD of TE, Ca2, and Ca7 were (125, 62.5), (25, 12.5), and (50, 3.125) mu g/ml, respectively. GC-MS analysis of the tentacle extract revealed seven structurally distinct chemical compositions. Four of the seven compounds had a steroid structure. According to the docking results, all compounds showed binding affinity to the active sites of both thymidine kinase chains. Among them, the steroid compound Pregn-5-ene-3,11-dione, 17,20:20,21 bis methylenebis (oxy)]-, cyclic 3-(1,2-ethane diyl acetal) (Ca2) exhibited the highest affinity for both enzyme chains, surpassing that of standard acyclovir. In silico data confirmed the experimental results. We conclude that the oxosteroid Ca2 may act as a potent agent against HSV-1.
| Item Type: | Article |
|---|---|
| Funders: | Bushehr University of Medical Sciences |
| Uncontrolled Keywords: | Cassiopea andromeda; anti-HSV-1; Docking; Secondary metabolite; Thymidine kinase |
| Subjects: | Q Science > QR Microbiology |
| Divisions: | Deputy Vice Chancellor (Research & Innovation) Office > Institute of Ocean and Earth Sciences |
| Depositing User: | Ms. Juhaida Abd Rahim |
| Date Deposited: | 28 Jun 2024 07:43 |
| Last Modified: | 28 Jun 2024 07:43 |
| URI: | http://eprints.um.edu.my/id/eprint/44264 |
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