How do arbidol and its analogs inhibit the SARS-CoV-2?

Aktaş, Ahmet; Tüzün, Burak; Taskin, A H; Sayın, Koray; Ataseven, Hilmi

doi:10.4149/bll_2020_115

Cited by 30 publications

(20 citation statements)

References 15 publications

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“…[51] Indeed, AG as a glucosidase located in the brush border of the small intestine is able to selectively hydrolyze terminal (1 → 4)-linked α-glucose residues (disaccharides or starch) to release a single α-glucose molecule. [52]…”

Section: Bioactivity Resultsmentioning

confidence: 99%

Synthesis and docking calculations of tetrafluoronaphthalene derivatives and their inhibition profiles against some metabolic enzymes

Erdoğan

Taslimi

Tüzün

2021

Archiv der Pharmazie

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Syntheses of tetrahydroepoxy, O-allylic, O-prenylic, and O-propargylic tetrafluoronaphthalene derivatives, starting from 1-bromo-2,3,4,5,6-pentafluorobenzene, are reported here for the first time. The O-substituted tetrafluoronaphthalene derivatives were designed and also synthesized via a one-pot nucleophilic substitution reaction in excellent yields, whereas the tetrafluorotetrahydroepoxynaphthalene derivate was synthesized via a reduction reaction in excellent yield. The chemical structures of all the synthesized molecules were characterized by nuclear magnetic resonance, infrared spectroscopy, and high-resolution mass spectrometry techniques.In this study, a series of novel tetrafluoronaphthalene derivatives (2, 2a, 4-6) was tested toward several enzymes including α-glucosidase, acetylcholinesterase (AChE), and human carbonic anhydrase I and II (hCA I/II). The tetrafluoronaphthalene deri-

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Section: Bioactivity Resultsmentioning

confidence: 99%

Synthesis and docking calculations of tetrafluoronaphthalene derivatives and their inhibition profiles against some metabolic enzymes

Erdoğan

Taslimi

Tüzün

2021

Archiv der Pharmazie

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“…Inhibitory activities of FDA approved drugs, and active ingredients of medicinal herbs against the SARS-CoV-2 virus were investigated. The numerical values of the inhibitory activities of FDA approved drugs and medicinal herbs against the SARS-CoV-2 virus were compared (32). It should be well known that the most important factor affecting this numerical value is the interaction between molecules and proteins.…”

Section: Resultsmentioning

confidence: 99%

Determination of inhibitor activity of drugs against the COVID-19

Gedikli¹,

Tüzün²,

Sayın³

et al. 2021

BLL

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BACKGROUND: It is the SARS-CoV-2 virus, one of the most signifi cant diseases of today's world. Due to the high transmission of this disease, studies are ongoing to discover an inhibitor drug that can stop this disease. In this study, inhibitory drugs used for many diseases were tried to stop the SARS-CoV-2 virus. AIM: In the calculations made, inhibitor molecules for the SARS-CoV-2 virus were calculated by molecular docking method. RESULTS AND CONCLUSION: Inhibitory activities of SARS-CoV-2 virus against spike glycoprotein (PDB ID: 6M0J, 6LZG), main protease (PDB ID: 5RGG, 6WTT), and RNA dependent RNA polymerase (RdRp) (PDB ID: 6YYT, 7BV2) proteins were compared. Then, docking calculations were supported by calculations by MM-PSBA of the inhibitor with the highest activity. Afterwards, it was compared with FDA approved drugs for the SARS-CoV-2 virus. It was found that the Carvedilol molecule was the best against RNA dependent RNA polymerase (RdRp) protein of Fig. 9, Ref. 42).

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“…The SARS-CoV-2 virus has been seen in Wuhan/China and spread all over the world (21)(22)(23). This virus has completely affected people's daily life, social life and relationships.…”

Section: Inhibitory Effi Ciency Against Sars-cov-2mentioning

confidence: 99%

Could boron-containing compounds (BCCs) be effective against SARS-CoV-2 as anti-viral agent?

Cetiner¹,

Sayın²,

Tüzün³

et al. 2021

BLL

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BACKGROUND: Seven dioxaborole compounds are investigated in this study. Structural and spectral characterizations are done at the M062X/6-31+G(d,p) level in water. Active sites of these compounds are determined by contour plots of frontier molecular orbital and molecular electrostatic potential (MEP) maps. Electrophilic and nucleophilic attack regions are determined. Since SARS-CoV-2 is a worldwide health problem, antiviral properties of studied boron-containing compounds are investigated by molecular docking calculations. In addition to these calculations, MM/PSBA calculations are performed. RESULTS AND CONCLUSION: It is found that the studied boron compounds can be good drug candidates against the main protease of SARS-CoV-2, while the best of them is 4,6-di-tert-butyl-2-(4-methoxyphenyl) benzo[d][1,3,2] dioxaborole (B2)

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How do arbidol and its analogs inhibit the SARS-CoV-2?

Cited by 30 publications

References 15 publications

Synthesis and docking calculations of tetrafluoronaphthalene derivatives and their inhibition profiles against some metabolic enzymes

Synthesis and docking calculations of tetrafluoronaphthalene derivatives and their inhibition profiles against some metabolic enzymes

Determination of inhibitor activity of drugs against the COVID-19

Could boron-containing compounds (BCCs) be effective against SARS-CoV-2 as anti-viral agent?

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