Exploration of potent antiviral phytomedicines from Lauraceae family plants against SARS-CoV-2 RNA-dependent RNA polymerase

Rabaan, Ali A.; Halwani, Muhammad A.; Aljeldah, Mohammed; Shammari, Basim R. Al; Garout, Mohammed; Aldali, Jehad A.; Alawfi, Abdulsalam; Alshengeti, Amer; Alsulaiman, Abdulrahman M.; Alsayyah, Ahmed

doi:10.1080/07391102.2023.2186720

Cited by 5 publications

(5 citation statements)

References 65 publications

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“…Additionally, it will be crucial to compare sitogluside's efficacy and safety with existing IL-2 inhibitors to determine its potential for clinical use. 43,[45][46][47][48][49][50][51][52][53][54][55][56][57]…”

Section: Resultsmentioning

confidence: 99%

In Silico Study on the Inhibition of Sitogluside from Clove Plant (Syzygium aromaticum) on Interleukin 2 in B and T Cell Proliferation

Rosalina,

Purnamasari,

Verawati

et al. 2023

Pharmacogn J.

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Section: Resultsmentioning

confidence: 99%

In Silico Study on the Inhibition of Sitogluside from Clove Plant (Syzygium aromaticum) on Interleukin 2 in B and T Cell Proliferation

Rosalina,

Purnamasari,

Verawati

et al. 2023

Pharmacogn J.

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“…In this stage, Pymol (https://pymol.org/), Pyrex (https://github.com/rlabduke/PyRx), and Protein Plus (https://proteind.plus/) software, were used for molecular modeling, simulation of molecular interactions, and analysis and visualization of the results. The in silico approach enabled efficient and effective study of the molecular interactions between Kaempferol and tyrosinase proteins, as well as assessment of their binding affinity [34][35][36]. The data obtained from the in silico stage was then interpreted.…”

Section: Methodsmentioning

confidence: 99%

Untitled

2024

J. Med. Chem. Sci.

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“…The binding affinity results were interpreted to understand the strength and stability of the interaction between the two molecules. Next, Protein Plus was used to analyze the interaction between isorhamnetin and xanthine dehydrogenase in terms of structure and function [21]- [26].…”

Section: Methodsmentioning

confidence: 99%

Interaction of Isorhamnetin in Red Onion (Allium cepa) with Xanthine Dehydrogenase as Purine Metabolism

Zainul,

Novel,

Satriawan

2024

COMIEN

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This research aims to study the interaction between Isorhamnetin compound and Xanthine Dehydrogenase enzyme in onion (Allium cepa) as part of purine metabolism. The research methods used include the use of Pymol, Pyrex, Protein Plus, and Lepinski Rule software. The use of Pymol was used to visualize the structure of Isorhamnetin and Xanthine Dehydrogenase in the interaction complex. The use of Pyrex was used for the calculation of binding affinity (kcal/moles) between Isorhamnetin and Xanthine Dehydrogenase, with results of -8.2, -7.9, and -7.9. Protein Plus indicated the interaction between Isorhamnetin and Xanthine Dehydrogenase. Additionally, analysis using the Lepinski Rule revealed that Isorhamnetin has a mass of 316, a hydrogen bond donor of 4, a hydrogen bond acceptor of 7, a log P of 2.313, and a molar reactivity of 78.937. These results provide a better understanding of the interaction mechanism of Isorhamnetin with Xanthine Dehydrogenase in shallots, which can be used for the development of potential therapies in the regulation of purine metabolism.

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Exploration of potent antiviral phytomedicines from Lauraceae family plants against SARS-CoV-2 RNA-dependent RNA polymerase

Cited by 5 publications

References 65 publications

In Silico Study on the Inhibition of Sitogluside from Clove Plant (Syzygium aromaticum) on Interleukin 2 in B and T Cell Proliferation

In Silico Study on the Inhibition of Sitogluside from Clove Plant (Syzygium aromaticum) on Interleukin 2 in B and T Cell Proliferation

Untitled

Interaction of Isorhamnetin in Red Onion (Allium cepa) with Xanthine Dehydrogenase as Purine Metabolism

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