Virology: Current Research

ISSN: 2736-657X

Open Access

Volume 5, Issue 2 (2021)

Research Article Pages: 1 - 5

Molecular Docking Study of Novel COVID-19 Protease with Low-Risk Terpenoids Compounds of Plants

Neda Shaghaghi

Background: Due to the reported high ability of virulence of COVID-19 in recent months, several studies have been conducted to discover and introduce COVID-19 antiviral drugs. The results of numerous studies have shown that protease inhibitors and compounds, which make up the major part of plant derivatives, especially terpenoids, can therefore be very effective in controlling virus-induced infection. The aim of this research is the bioinformatical study of COVID-19 inhibition by terpenoids of plant origin.

Materials and methods: This is a descriptive-analytic study. In the present study, the structure of Terpene compounds were received from the databases such as PubChem and COVID-19 proteases were received Protein Data Bank (PDB). After that, molecular docking was performed by MVD (molegro virtual docker) software.

 Results: The results are identified to have inhibitory activities against novel COVID-19 protease. Of these compounds, Ginkgolide A has a stronger bond and high affinity with protease. The amount of connecting energy from high to less in order Ginkgolide A> DiThymoquinone>Noscapine>Salvinorin A>Forscolin>Bilobalide>Citral>Beta Selinene>Menthol. All of these compounds were linked to the intermediate flap that the software had predicted, and all of them were binded to 8 residues, and a total of 19 residues were binded.

Conclusion: Finally, with due attention to the high effectiveness function of terpenoids, we can conclude that these compounds may be considered as effective COVID-19 antiprotease drugs. Also, due to the formation of blood clots in coronavirus infection, a number of these compounds, in addition to antiviral activity, have an effect on inhibiting coagulation.

Research Article Pages: 1 - 6

Investigation of Cepharanthine Binding with Viral Proteins Reveal its Potential Targets against Coronavirus

Donghui Huo, Wenlin An, Huan Xu, Aixia Yan and Yigang Tong

The outbreak of Corona Virus Disease 2019 (COVID-19) caused by SARS-CoV-2 is becoming a worldwide problem. We previously reported that cepharanthine (CEP) demonstrated strong anti-coronavirus effects, however, the mechanism underlying CEP’s anti-coronavirus effects remains unknown. We herein performed Surface Plasmon Resonance (SPR) to investigate the biological influence of CEP on different proteins of SARS-CoV-2. Meanwhile, molecular docking study was used to screen the potential binding sites of CEP on the virus. The binding of CEP to the nsp13 helicase with a Kd of 3.806*10-6 M shows that helicase is a relatively strong possible target of CEP. Besides, CEP could bind to the viral main proteinase (3CLpro) that contributes to the intervention of polypeptide cleavage. We also compared the potential binding pockets and binding affinity on viral spike proteins (S1 and S2 subunits) at both open and closed states. Our study revealed that CEP exerts its anti-coronavirus effects at viral genomic RNA replication, transcription, translation and viral invasion levels, providing a theoretical basis for the development of CEP as a promising anti-coronavirus drug.

Editorial Pages: 1 - 1

WHO Renews Backing for Astrazeneca COVID

George Sourvinos

The World Health Organization gave sturdy backing to the AstraZeneca COVID-19 jab on Friday, urging countries to take care of the roll-out once reviewing reports of blood clots. Many European countries resumed AstraZeneca vaccinations on Friday once the European Medical Agency (EMA) likewise gave their inexperienced lightweight. "We perceive that individuals could have had considerations regarding the security of the Oxford-AstraZeneca immunogen. The question with any pharmaceutical or immunogen is whether or not the chance of taking it's bigger or but the chance of the malady it's meant to stop or treat. There's no question: COVID-19 could be a deadly malady and therefore the Oxford-AstraZeneca immunogen will forestall it. The obtainable information don't recommend any overall increase in natural action conditions following administration of the Oxford-AstraZeneca COVID-19 immunogen. We tend to urge countries to continue victimization this necessary immunogen. 'Tremendous potential' The WHO's world consultatory Committee on immunogen Safety (GACVS) met nearly associated It reviewed obtainable info and information on thromboembolic events (blood clots) and thrombopenia (low platelets) once vaccination with an AstraZeneca COVID-19 shot.

Research Article Pages: 1 - 5

Potential Docking Affinity of Three Approved Drugs Against SARS-CoV-2 for COVID-19 Treatment

Venkata Sambasiva Rao Rachakulla and Hemanjali Devi Rachakulla

Objectives: As the COVID-19 is rapidly spreading entire world and even though vaccines are distributing on emergency basis. There are enormous delays in supply chain due to huge gap between demand and production and also time factor for different phases of vaccination in the entire world. There is urgent need of alternate effective drug candidates from among the drugs already approved by FDA.

Methods: We have studied the virtual interaction of crystal data structures of protein downloaded from protein data bank (PDB ID 7BRP) docked with corticosteroid drug candidates approved by FDA for other medical purposes which have less side effects. The results are analyzed in contrast some drugs candidates currently using for the treatment of COVID-19.

Results: The binding energies in kilocalories/mole obtained from the docking of 7BRP protease with ligands under investigation Betamethasone Phosphate (-6.9), Fluticasone (-6.1) and Dexamethasone (-5.9) and also with currently using drug candidates Remdesivir (-6.5), Lopinavir (-6.0), Baceprivir (-5.7), Rabavirin (-6), Ritinovir (-5.3), Hydroxyquinoline (-5.0), Chloroquine (-4.7), Oseltamivir (-4.6), Favipiravir (-3.9).

Discussion: The docking results suggest a higher binding affinity of the drug molecules under investigation against SARS-CoV-2 in contrast with other drug candidates currently being used for the treatment of COVID-19. We have analyzed bond interactions of protein-ligand from images in 10 modes of investigated drugs in contrast with Remdesivir and discussed the advantages of inhalation methods of drug fluticasone.

Conclusion: From this study, it can be suggested that these carticosteroid drugs are promising candidates for antiviral treatment with high potential to fight against SARS-CoV-2 strain which needs further clinical studies. Especially, fluticasone an inhaler drug promising candidate which targets the infected lungs by COVID-1

Research Article Pages: 1 - 7

COVID-19 Pandemic and Bangladesh: A Review

Mohammed Kamruzzaman

Bangladesh, a developing country in the world. Like the other countries in the world it also hit by COVID-19 pandemic. This review article particularly analyzed some issues (e.g. Government measures, Economy, Mental health, Social issues and Vaccine) of Bangladesh related to COVID-19. Based on the published articles, news from print and electronic media, websites of different government and non-government organizations, available public data and some personal discussions are used to write this review paper. As the pandemic still on at the time of data been collected and no one knows when it’s going to stop, there can be addition of this paper in the future with updated data. It was a big challenge for Bangladesh to cope-up with the situation as a lower-middle-income economy with one of the world's densest populations. As winter is knocking the door here in Bangladesh, experts are assuming that the second wave will start very soon and the damage can be worst then the first wave. This paper may help the concerns to re-think what was there mistakes and how more organized way they can control the second wave and minimize the damage.

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