Are clarithromycin, azithromycin and their analogues effective in the treatment of COVID19?

Gedikli, Mustafa Asım; Tüzün, Burak; Aktaş, Ahmet; Sayın, Koray; Ataseven, Hilmi

doi:10.4149/bll_2021_015

Cited by 28 publications

(22 citation statements)

References 20 publications

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“…The specific remedy for COVID-19 is still unidentified. Therefore, several ethnophamacological attempts have been made for the treatment of the viral infection (Aktas et al, 2020;Cetiner et al, 2020;Gedikli et al, 2021). In order to find the most suitable molecule for the treatment of COVID-19, herein, we demonstrated the computational interaction between the Linn extracts and Mpro.…”

Section: Materials and Methods Purpose And Type Of The Studymentioning

confidence: 96%

Extracts of Mesua Ferrea Linn, the natural Inhibitors of COVID-19 main protease: a computational quest

Saddiqa¹,

Çakmak²,

Usman

et al. 2021

Turkish Journal of Science and Health

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The coronavirus, known as severe acute respiratory syndrome (SARS-CoV-2), is accountable for the global epidemic disease COVID-19. The effective treatment of this disease is still unknown and there is an emergent need to use all resources to find the effective medication. The use of off-label natural medicinal compounds may be effective remedy for this scourge. For this reason, it was aimed to investigate the theoretical effect of Mesua ferrea Linn, an Asian medicinal plant, against COVID-19 disease. Material and Methods: In silico studies, molecular docking was performed using AutoDock Tools (ADT) version 1.5.6 package, and the coupling processes were performed using AutoDock 4.2 package. Results: Towards the investigation of effective inhibitor of 3CL protease, we studied the in silico interaction of the selected compounds of Mesua ferrea Linn. The studied compounds have shown significant inhibition properties. The timber extracts, Mesuabixanthone-B (∆Gbind = -15.51 kcal/mol) and Mesuferrol-B (∆Gbind = -14.32 kcal/mol) have the exciting impact on 6LU7. Conclusion:The in silico prediction of toxicities of the extracts are promising. The further lab research is necessary to identify their drug candidate capabilites against COVID-19 infections.

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Section: Materials and Methods Purpose And Type Of The Studymentioning

confidence: 96%

Extracts of Mesua Ferrea Linn, the natural Inhibitors of COVID-19 main protease: a computational quest

Saddiqa¹,

Çakmak²,

Usman

et al. 2021

Turkish Journal of Science and Health

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“…The last and most important two parameters are RuleOfFive (51,52) and RuleOfThree (53). These two parameters are made up of many rules.…”

Section: Docking Studiesmentioning

confidence: 99%

Could Peganum harmala be effective in the treatment of COVID-19?

Tüzün¹,

Nasibova²,

Garaev³

et al. 2021

BLL

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BACKGROUND: Predominant molecules in Peganum harmala leaves were detected using gas chromatography-mass spectrometry (GC-MS). Based on the results of this analysis, most alkaloids, fl avonoids and triterpenoids in found P. harmala was compiled from the literature in order to develop and lead the production of effective inhibitor drugs for ACE2, main protease, and RNA dependent RNA polymerase (RdRp) proteins of SARS-CoV-2 virus, which is today's most contagious and deadly disease. AIM: By comparing FDA-approved drugs used in the treatment of COVID-19, we aimed to determine whether the molecules in P. harmala are effective against SARS CoV-2 in silico. RESULTS AND CONCLUSION: P. harmala molecules were selected as drug candidates from the PubChem web tool. Afterwards, molecular docking calculations of these inhibitor molecules were made with Maestro Molecular modeling program by Schrödinger. The comparison of molecules with high inhibitory activities with FDA-approved drugs was made. With molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) calculations, docking calculations of molecules that have high inhibitory activity, were tried to be verifi ed by calculations in the range of 0-100 nanoseconds (Tab. 4, Fig. 6, Ref. 53).

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“…It should be well known that the more the molecule interacts with the protein, the higher the docking score. These interactions have many interactions such as hydrogen bonds, polar and hydrophobic interactions, π-π and halogen [37][38][39][40][41][42][43].…”

Section: Molecular Docking Calculationsmentioning

confidence: 99%

“…Other remaining parameters are Glide emodel, Glide energy, Glide einternal, and Glide posenum parameters. These parameters provide numerical information for the interaction of molecules with cancer proteins [39][40]. Comparison of the activities of the molecules 2, 4a-b against cancer proteins was made.…”

Section: Molecular Docking Calculationsmentioning

confidence: 99%

“…Another parameter is the number of hydrogen bonds (donorHB and accptHB) taken or given between molecules and proteins. There are many parameters such as the numerical information of the passage of molecules through the blood-intestine (QPPCaco) and blood-brain (QPPMDCK) barriers [39,40]. It is seen that the compounds 2 and 4a are not suitable for these parameters.…”

Section: Molecular Docking Calculationsmentioning

confidence: 99%

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Synthesis and Characterization of Some Benzidine-Based Azomethine Derivatives with Molecular Docking Studies and Anticancer Activities

Erdoğan

Yeşildağ

Yildiz

et al. 2021

Preprint

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In this paper, a new benzidine-based azomethine derivate 2 with a proposed new mechanism and its two derivatives 4a-b have been designed, synthesized and characterized by 1H, 13C NMR, FT-IR, and HRMS spectroscopic techniques, and their anticancer properties were investigated. The target compounds 2, 4a-b were obtained with excellent yields (91% and above) by condensation of benzidine (1) with three different aldehyde derivatives (formaldehyde, benzaldehyde 3a or p-nitrobenzaldehyde 3b) in refluxing EtOH. Surprisingly, treatment of benzidine (1) with formaldehyde afforded N4,N4,N4',N4'-tetrakis(ethoxymethyl)-[1,1'-biphenyl]-4,4'-diamine (2). The anticancer properties of these benzidine derivatives 2, 4a-b against two cell lines (MDA-MB-231 human breast adenocarcinoma and DLD1 human colorectal adenocarcinoma cell lines) were investigated with a colorimetric assay using the tetrazolium salt WST-8 (2-(2-methoxy-4-nitrophenyl)-3-(4-nitrophenyl)-5-(2,4-disulfophenyl)-2H-tetrazolium, monosodium salts). The obtained results showed that the benzidine-based azomethine derivatives 2, 4a-b had a significant effect against human breast cancer cell line (MDA-MB-231). Then, molecular docking calculations were made to compare the biological activities of benzidine-based azomethine derivatives 2, 4a-b against cancer proteins. ADME/T analysis was performed to examine the drug properties of benzidine-based azomethine derivatives 2, 4a-b. The compounds 2, 4a-b are promising as potential anticancer drug candidates.

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Are clarithromycin, azithromycin and their analogues effective in the treatment of COVID19?

Cited by 28 publications

References 20 publications

Extracts of Mesua Ferrea Linn, the natural Inhibitors of COVID-19 main protease: a computational quest

Extracts of Mesua Ferrea Linn, the natural Inhibitors of COVID-19 main protease: a computational quest

Could Peganum harmala be effective in the treatment of COVID-19?

Synthesis and Characterization of Some Benzidine-Based Azomethine Derivatives with Molecular Docking Studies and Anticancer Activities

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