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2.
PLoS One ; 17(3): e0264700, 2022.
Article in English | MEDLINE | ID: covidwho-1759947

ABSTRACT

Coronaviruses (CoVs) are positive-stranded RNA viruses with short clubs on their edges. CoVs are pathogenic viruses that infect several animals and plant organisms, as well as humans (lethal respiratory dysfunctions). A noval strain of CoV has been reported and named as SARS-CoV-2. Numerous COVID-19 cases were being reported all over the World. COVID-19 and has a high mortality rate. In the present study, immunoinformatics techniques were utilized to predict the antigenic epitopes against 3C like protein. B-cell epitopes and Cytotoxic T-lymphocyte (CTL) were designed computationally against SARS-CoV-2. Multiple Sequence Alignment (MSA) of seven complete strains (HCoV-229E, HCoV-NL63, HCoV-OC43, HCoV-HKU1, SARS-CoV, MERS-CoV, and SARS-CoV-2) was performed to elucidate the binding domain and interacting residues. MHC-I binding epitopes were evaluated by analyzing the binding affinity of the top-ranked peptides having HLA molecule. By utilizing the docked complexes of CTL epitopes with antigenic sites, the binding relationship and affinity of top-ranked predicted peptides with the MHC-I HLA protein were investigated. The molecular docking analyses were conducted on the ZINC database library and twelve compounds having least binding energy were scrutinized. In conclusion, twelve CTL epitopes (GTDLEGNFY, TVNVLAWLY, GSVGFNIDY, SEDMLNPNY, LSQTGIAV, VLDMCASLK, LTQDHVDIL, TTLNDFNLV, CTSEDMLNP, TTITVNVLA, YNGSPSGVY, and SMQNCVLKL) were identified against SARS-CoV-2.


Subject(s)
COVID-19 , SARS-CoV-2 , Animals , Epitopes, T-Lymphocyte , Molecular Docking Simulation , Peptides , Spike Glycoprotein, Coronavirus , Vaccines, Subunit
3.
Int J Environ Res Public Health ; 18(21)2021 10 29.
Article in English | MEDLINE | ID: covidwho-1488583

ABSTRACT

Rapid and unchecked industrialization and the combustion of fossil fuels have engendered a state of fear in urban settlements. Smog is a visible form of air pollution that arises due to the over-emissions of some primary pollutants like volatile organic compounds (VOCs), hydrocarbons, SO2, NO, and NO2 which further react in the atmosphere and give rise to toxic and carcinogenic secondary smog components. Smog reduces the visibility on roads and results in road accidents and cancellation of flights. Uptake of primary and secondary pollutants of smog is responsible for several deleterious diseases of which respiratory disorders, cardiovascular dysfunction, neurological disorders, and cancer are discussed here. Children and pregnant women are more prone to the hazards of smog. The worsening menace of smog on one hand and occurrence of pandemic i.e., COVID-19 on the other may increase the mortality rate. But the implementation of lockdown during pandemics has favored the atmosphere in some ways, which will be highlighted in the article. On the whole, the focus of this article will be on the dubious relationship between smog and coronavirus.


Subject(s)
Air Pollutants , Air Pollution , COVID-19 , Air Pollutants/analysis , Air Pollution/analysis , Child , Communicable Disease Control , Female , Humans , Particulate Matter/analysis , Pregnancy , SARS-CoV-2 , Smog/analysis
4.
Biomolecules ; 11(4)2021 04 19.
Article in English | MEDLINE | ID: covidwho-1206298

ABSTRACT

Podophyllotoxin, along with its various derivatives and congeners are widely recognized as broad-spectrum pharmacologically active compounds. Etoposide, for instance, is the frontline chemotherapeutic drug used against various cancers due to its superior anticancer activity. It has recently been redeveloped for the purpose of treating cytokine storm in COVID-19 patients. Podophyllotoxin and its naturally occurring congeners have low bioavailability and almost all these initially discovered compounds cause systemic toxicity and development of drug resistance. Moreover, the production of synthetic derivatives that could suffice for the clinical limitations of these naturally occurring compounds is not economically feasible. These challenges demanded continuous devotions towards improving the druggability of these drugs and continue to seek structure-optimization strategies. The discovery of renewable sources including microbial origin for podophyllotoxin is another possible approach. This review focuses on the exigency of innovation and research required in the global R&D and pharmaceutical industry for podophyllotoxin and related compounds based on recent scientific findings and market predictions.


Subject(s)
Anti-Infective Agents/pharmacology , Anti-Inflammatory Agents/pharmacology , Antineoplastic Agents, Phytogenic/pharmacology , Podophyllotoxin/pharmacology , Animals , Anti-Infective Agents/chemistry , Anti-Infective Agents/therapeutic use , Anti-Inflammatory Agents/chemistry , Anti-Inflammatory Agents/therapeutic use , Antineoplastic Agents, Phytogenic/chemistry , Antineoplastic Agents, Phytogenic/therapeutic use , Cytokine Release Syndrome/drug therapy , Drug Discovery , Drug Repositioning , Humans , Neoplasms/drug therapy , Podophyllotoxin/analogs & derivatives , Podophyllotoxin/therapeutic use , Podophyllum/chemistry , COVID-19 Drug Treatment
5.
Healthcare (Basel) ; 8(4)2020 Nov 07.
Article in English | MEDLINE | ID: covidwho-918943

ABSTRACT

The multidisciplinary nature of the work required for research in the COVID-19 pandemic has created new challenges for health professionals in the battle against the virus. They need to be equipped with novel tools, applications, and resources-that have emerged during the pandemic-to gain access to breakthrough findings; know the latest developments; and to address their specific needs for rapid data acquisition, analysis, evaluation, and reporting. Because of the complex nature of the virus, healthcare systems worldwide are severely impacted as the treatment and the vaccine for COVID-19 disease are not yet discovered. This leads to frequent changes in regulations and policies by governments and international organizations. Our analysis suggests that given the abundance of information sources, finding the most suitable application for analysis, evaluation, or reporting, is one of such challenges. However, health professionals and policy-makers need access to the most relevant, reliable, trusted, and latest information and applications that can be used in their day-to-day tasks of COVID-19 research and analysis. In this article, we present our analysis of various novel and important web-based applications that have been specifically developed during the COVID-19 pandemic and that can be used by the health professionals community to help in advancing their analysis and research. These applications comprise search portals and their associated information repositories for literature and clinical trials, data sources, tracking dashboards, and forecasting models. We present a list of the minimally essential online, web-based applications to serve a multitude of purposes, from hundreds of those developed since the beginning of the pandemic. A critical analysis is provided for the selected applications based on 17 features that can be useful for researchers and analysts for their evaluations. These features make up our evaluation framework and have not been used previously for analysis and evaluation. Therefore, knowledge of these applications will not only increase productivity but will also allow us to explore new dimensions for using existing applications with more control, better management, and greater outcome of their research. In addition, the features used in our framework can be applied for future evaluations of similar applications and health professionals can adapt them for evaluation of other applications not covered in this analysis.

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