The spike glycoprotein of SARS-CoV-2, via its S1-subunit, binds with host angiotensin-converting enzyme 2 (ACE-2) receptors, and its S2-subunit mediates the fusion of the virus to the host cell. The entry of SARS-CoV-2 inside the host cell can be prevented by inhibition of the receptor binding domain (RBD) of S1-subunit of the spike. Anacyclus pyrethrum, a native herb of Algeria, Spain and Morocco has antidepressant, analgesic, antimicrobial, anesthetic, antioxidant, anti-inflammatory, aphrodisiac, antidiabetic and immunostimulant effects. Still, its antiviral effect has not been established yet. The present study deals with ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity), molecular docking and molecular dynamic simulation based investigation to evaluate the potential of Anacyclus pyrethrum constituents for effective spike RBD inhibition. ADMET analysis revealed that 10 out of 12 significant constituents belongs to toxicity class 4 to 6 proving least toxicity of the plant extract with high LD50 values. Molecular docking analysis of 10 considered compounds revealed that morphinan-6-one, 4,5.alpha.-epoxy-3-hydroxy-17-methyl, a derivative of morphine (well-known analgesic and anti-inflammatory compound) gave the maximum negative binding energy of -6.9Kcal/mol in best-docked conformation with spike RBD having 2 hydrogen bonds. Molecular dynamic simulation disclosed effective RMSD, RMSF, and Rg values over the simulation trajectory with significant hydrogen bonding proving stable interaction of the compound with that of the spike RBD. Hence, all these outcomes revealed the outstanding potential of the Anacyclus pyrethrum extract to inhibit the spike RBD of SARS-CoV-2. Therefore, further in-vitro investigation can develop natural and effective treatments against COVID-19 disease.
{"title":"In silico Evaluation of Anacyclus pyrethrum Composition for Inhibition of Spike RBD-ACE-2 Interaction to Treat COVID-19","authors":"Anand Kumar Pandey, Jayanti Awasthi, Kislay Chaturvedi, Ayush Mishra, Shivangi Yadav, Soumya Rathore, Preeti Birwal","doi":"10.2174/0126667975280881240102111455","DOIUrl":"https://doi.org/10.2174/0126667975280881240102111455","url":null,"abstract":"\u0000\u0000The spike glycoprotein of SARS-CoV-2, via its S1-subunit, binds with host\u0000angiotensin-converting enzyme 2 (ACE-2) receptors, and its S2-subunit mediates the fusion of the\u0000virus to the host cell. The entry of SARS-CoV-2 inside the host cell can be prevented by inhibition of\u0000the receptor binding domain (RBD) of S1-subunit of the spike. Anacyclus pyrethrum, a native herb\u0000of Algeria, Spain and Morocco has antidepressant, analgesic, antimicrobial, anesthetic, antioxidant,\u0000anti-inflammatory, aphrodisiac, antidiabetic and immunostimulant effects. Still, its antiviral effect\u0000has not been established yet.\u0000\u0000\u0000\u0000The present study deals with ADMET (Absorption, Distribution, Metabolism, Excretion\u0000and Toxicity), molecular docking and molecular dynamic simulation based investigation to\u0000evaluate the potential of Anacyclus pyrethrum constituents for effective spike RBD inhibition.\u0000\u0000\u0000\u0000ADMET analysis revealed that 10 out of 12 significant constituents belongs to toxicity class\u00004 to 6 proving least toxicity of the plant extract with high LD50 values. Molecular docking analysis\u0000of 10 considered compounds revealed that morphinan-6-one, 4,5.alpha.-epoxy-3-hydroxy-17-methyl,\u0000a derivative of morphine (well-known analgesic and anti-inflammatory compound) gave the maximum\u0000negative binding energy of -6.9Kcal/mol in best-docked conformation with spike RBD having\u00002 hydrogen bonds. Molecular dynamic simulation disclosed effective RMSD, RMSF, and Rg values\u0000over the simulation trajectory with significant hydrogen bonding proving stable interaction of the\u0000compound with that of the spike RBD.\u0000\u0000\u0000\u0000Hence, all these outcomes revealed the outstanding potential of the Anacyclus pyrethrum\u0000extract to inhibit the spike RBD of SARS-CoV-2. Therefore, further in-vitro investigation can\u0000develop natural and effective treatments against COVID-19 disease.\u0000","PeriodicalId":10815,"journal":{"name":"Coronaviruses","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-01-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140493392","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-01-26DOI: 10.2174/0126667975268518240111113733
Sandhya Rajbahadur Yadav, Pushpalata Chougule
The fast spread of SARS-CoV-2, the coronavirus pandemic virus, across the world presents a significant population health dilemma. Various protective measures were adopted to address this worldwide health crisis, and among those, the production of vaccines is of paramount importance. This review focuses on the prominent vaccines developed against the pandemic virus during the ongoing worldwide outbreak. The mechanisms of action for each vaccine resemble that of Pfizer's comirnaty in the United States of America, Moderna vaccine in the United States of America, and AstraZeneca's adenovirus-based vaccine developed by the UK's Oxford-based university. The demand for vaccines to counter pandemic corona virus, the pathogen behind COVID-19, is imperative. These vaccines, including those from Pfizer-BioNTech, Moderna, and AstraZeneca, are poised to play a pivotal role in addressing the urgent global need. This review seeks to offer an allencompassing perspective of the COVID-19 pandemic, including its epidemiology, transmission, advancements in treatment, vaccines, as well as the genetic variability and life cycle of the pandemic coronavirus, relying on the latest research in conjunction with available data.
冠状病毒 SARS-CoV-2 在全球范围内的快速传播给人们的健康带来了巨大的威胁。为应对这一世界性的健康危机，人们采取了各种保护措施，其中最重要的是疫苗的生产。每种疫苗的作用机制都与美国辉瑞公司的 comirnaty 疫苗、美国 Moderna 疫苗和英国牛津大学阿斯利康公司开发的基于腺病毒的疫苗相似。这些疫苗，包括辉瑞生物技术公司、Moderna 公司和阿斯利康公司生产的疫苗，有望在满足全球迫切需求方面发挥关键作用。本综述试图通过最新研究和现有数据，对 COVID-19 大流行病进行全方位的透视，包括其流行病学、传播、治疗进展、疫苗以及该大流行病冠状病毒的遗传变异性和生命周期。
{"title":"COVID-19 Vaccines: A Comprehensive Review of Development, Action\u0000Mechanisms, and Global Implications","authors":"Sandhya Rajbahadur Yadav, Pushpalata Chougule","doi":"10.2174/0126667975268518240111113733","DOIUrl":"https://doi.org/10.2174/0126667975268518240111113733","url":null,"abstract":"\u0000\u0000The fast spread of SARS-CoV-2, the coronavirus pandemic virus, across the world presents\u0000a significant population health dilemma. Various protective measures were adopted to address\u0000this worldwide health crisis, and among those, the production of vaccines is of paramount importance.\u0000This review focuses on the prominent vaccines developed against the pandemic virus during\u0000the ongoing worldwide outbreak. The mechanisms of action for each vaccine resemble that of\u0000Pfizer's comirnaty in the United States of America, Moderna vaccine in the United States of America,\u0000and AstraZeneca's adenovirus-based vaccine developed by the UK's Oxford-based university.\u0000The demand for vaccines to counter pandemic corona virus, the pathogen behind COVID-19, is imperative.\u0000These vaccines, including those from Pfizer-BioNTech, Moderna, and AstraZeneca, are\u0000poised to play a pivotal role in addressing the urgent global need. This review seeks to offer an allencompassing\u0000perspective of the COVID-19 pandemic, including its epidemiology, transmission,\u0000advancements in treatment, vaccines, as well as the genetic variability and life cycle of the pandemic\u0000coronavirus, relying on the latest research in conjunction with available data.\u0000","PeriodicalId":10815,"journal":{"name":"Coronaviruses","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-01-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140493783","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-01-25DOI: 10.2174/0126667975275429231218052642
S. Halder, Ashish Ranjan Sharma, Tawsif Al Arian, Samantha Saha, A. Shil, Md. Oliullah Rafi, S. Sarker, Md. Nuhu Alam, Mahbubul Kabir Himel, Md. Ashraful Hasan, Mohammad Mahfuz Ali Khan Shawan
The continuously emerging novel strains of SARS-CoV-2 remain a menace to the global population. The vicious delta variant (originated in India) is considered one of the most infectious/contagious variants of SARS-CoV-2. The transmission frequency of this variant is 225% higher than other variants, extending its prevalence and causing a massive surge in the COVID-19 pandemic. It is also the most ravenous variant among others. Though the delta variant has already disappeared, it could re-emerge/come out at any time with a more powerful strike than earlier. Therefore, to tackle such ferocity, this research is undertaken with a next-generation vaccine development strategy to design a multi-epitope-based subunit vaccine against the delta variant of SARS-CoV-2, which might boost the body's immunity. In the present investigation, reverse vaccinomics and immunoinformatics approaches were adopted to create an immune-stimulating prospective vaccine candidate having B cell, helper T cell (Th)/helper T lymphocyte (HTL), cytotoxic T cell (Tc)/cytotoxic T lymphocyte (CTL), and interferon-gamma (IFN-γ) inducing epitopes by exploiting the SARS-CoV-2 (delta variant) (GenBank: MZ724536.1) structural proteins: envelope glycoprotein (E), nucleocapsid phosphoprotein (N), surface glycoprotein (S), and membrane glycoprotein (M). The established vaccine construct was then completed by combining antigenic epitopes with adjuvants and linkers. Subsequently, the 3D model of the suggested vaccine was created and docked with an immune receptor (Toll-Like Receptor-4). A molecular dynamics (MD) simulation study was performed to confirm the binding stability between the vaccine conjugate and TLR4. Later, an immune simulation study was carried out to predict the in silico immune response of the vaccine candidate. To effectively express the developed vaccine in a bacterial system (E. coli), in silico codon optimization and cloning were done in an expression vector to manufacture it on a large scale. According to the computational analysis, the vaccine candidate was found to be highly antigenic while maintaining favorable properties for the human body. Molecular docking and dynamics simulation study between the suggested vaccine construct and TLR4 immune receptor depicted it as extremely efficient and stable, ensuring a proper immunological response within the host cell. Eventually, an in silico immune simulation study of the vaccine candidate demonstrated a robust immune response to vaccine administration. We have hypothesized that the constructed vaccine model is benign, stable, and immunogenic, making it a promising/potent candidate for immune system stimulation against SARSCOV- 2 (DV). Hereof, wet lab-based investigations are needed to justify the competence of the novel vaccine candidate towards the delta variant along with other variants of SARS-CoV-2.
{"title":"In silico Designing of a Multi-epitope-based Subunit Vaccine against SARS-CoV-2 (Delta Variant) by Exploiting Its Structural Proteins: A Reverse Vaccinomics and Immunoinformatics Approach","authors":"S. Halder, Ashish Ranjan Sharma, Tawsif Al Arian, Samantha Saha, A. Shil, Md. Oliullah Rafi, S. Sarker, Md. Nuhu Alam, Mahbubul Kabir Himel, Md. Ashraful Hasan, Mohammad Mahfuz Ali Khan Shawan","doi":"10.2174/0126667975275429231218052642","DOIUrl":"https://doi.org/10.2174/0126667975275429231218052642","url":null,"abstract":"\u0000\u0000The continuously emerging novel strains of SARS-CoV-2 remain a menace\u0000to the global population. The vicious delta variant (originated in India) is considered one of the most\u0000infectious/contagious variants of SARS-CoV-2. The transmission frequency of this variant is 225%\u0000higher than other variants, extending its prevalence and causing a massive surge in the COVID-19\u0000pandemic. It is also the most ravenous variant among others.\u0000\u0000\u0000\u0000Though the delta variant has already disappeared, it could re-emerge/come out at any time\u0000with a more powerful strike than earlier. Therefore, to tackle such ferocity, this research is undertaken\u0000with a next-generation vaccine development strategy to design a multi-epitope-based subunit vaccine\u0000against the delta variant of SARS-CoV-2, which might boost the body's immunity.\u0000\u0000\u0000\u0000In the present investigation, reverse vaccinomics and immunoinformatics\u0000approaches were adopted to create an immune-stimulating prospective vaccine candidate having B\u0000cell, helper T cell (Th)/helper T lymphocyte (HTL), cytotoxic T cell (Tc)/cytotoxic T lymphocyte\u0000(CTL), and interferon-gamma (IFN-γ) inducing epitopes by exploiting the SARS-CoV-2 (delta variant)\u0000(GenBank: MZ724536.1) structural proteins: envelope glycoprotein (E), nucleocapsid phosphoprotein\u0000(N), surface glycoprotein (S), and membrane glycoprotein (M). The established vaccine construct\u0000was then completed by combining antigenic epitopes with adjuvants and linkers. Subsequently,\u0000the 3D model of the suggested vaccine was created and docked with an immune receptor (Toll-Like\u0000Receptor-4). A molecular dynamics (MD) simulation study was performed to confirm the binding\u0000stability between the vaccine conjugate and TLR4. Later, an immune simulation study was carried\u0000out to predict the in silico immune response of the vaccine candidate. To effectively express the developed\u0000vaccine in a bacterial system (E. coli), in silico codon optimization and cloning were done in\u0000an expression vector to manufacture it on a large scale.\u0000\u0000\u0000\u0000According to the computational analysis, the vaccine candidate was found to be highly antigenic\u0000while maintaining favorable properties for the human body. Molecular docking and dynamics\u0000simulation study between the suggested vaccine construct and TLR4 immune receptor depicted it as\u0000extremely efficient and stable, ensuring a proper immunological response within the host cell. Eventually,\u0000an in silico immune simulation study of the vaccine candidate demonstrated a robust immune\u0000response to vaccine administration.\u0000\u0000\u0000\u0000We have hypothesized that the constructed vaccine model is benign, stable, and immunogenic,\u0000making it a promising/potent candidate for immune system stimulation against SARSCOV-\u00002 (DV). Hereof, wet lab-based investigations are needed to justify the competence of the novel\u0000vaccine candidate towards the delta variant along with other variants of SARS-CoV-2.\u0000","PeriodicalId":10815,"journal":{"name":"Coronaviruses","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139596117","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-01-24DOI: 10.2174/0126667975267329231212043556
Suvendu Ghosh, D. Ghosh, P. Singha
The testis is the site for the production of sperm and testosterone. There exists a natural blood-testis barrier in order to maintain the internal metabolic homeostasis of the male gonads. Variation in metabolic homeostasis may lead to unexplained fertility issues, reduced production of sperm, production of deformed, non-viable sperm, and hamper the production of testosterone during SARSCoV- 2 infection along with physiological systems of the human body in different situations. The male reproductive system than female is more adversely affected by the immune changes due to viral infection. There occurs a significant immune–endocrine interaction in the gonads, which can be more precisely termed an “immune-neuroendocrine interaction”. The “hypothalamus-pituitary-gonadal axis” plays an important role in maintaining the normal metabolic homeostasis of the testis. The net impact is a change and reordering of the testicular metabolic homeostasis, leading to compromised male infertility in post-COVID-19 infected individuals. This review is a brief account of the immune and endocrine interactions that occur in the testis during COVID-19 infection, leading to remodeling of the testicular metabolic homeostasis by various mechanisms, which ultimately may lead to infertility in individuals who have been infected by the Coronavirus.
{"title":"Immune-endocrine Interactions and Remodelling of Metabolic Homeostasis\u0000of Testicular Cells During SARS-CoV-2 Infection","authors":"Suvendu Ghosh, D. Ghosh, P. Singha","doi":"10.2174/0126667975267329231212043556","DOIUrl":"https://doi.org/10.2174/0126667975267329231212043556","url":null,"abstract":"\u0000\u0000The testis is the site for the production of sperm and testosterone. There exists a natural\u0000blood-testis barrier in order to maintain the internal metabolic homeostasis of the male gonads. Variation\u0000in metabolic homeostasis may lead to unexplained fertility issues, reduced production of sperm,\u0000production of deformed, non-viable sperm, and hamper the production of testosterone during SARSCoV-\u00002 infection along with physiological systems of the human body in different situations. The\u0000male reproductive system than female is more adversely affected by the immune changes due to viral\u0000infection. There occurs a significant immune–endocrine interaction in the gonads, which can be more\u0000precisely termed an “immune-neuroendocrine interaction”. The “hypothalamus-pituitary-gonadal\u0000axis” plays an important role in maintaining the normal metabolic homeostasis of the testis. The net\u0000impact is a change and reordering of the testicular metabolic homeostasis, leading to compromised\u0000male infertility in post-COVID-19 infected individuals. This review is a brief account of the immune\u0000and endocrine interactions that occur in the testis during COVID-19 infection, leading to remodeling\u0000of the testicular metabolic homeostasis by various mechanisms, which ultimately may lead to infertility\u0000in individuals who have been infected by the Coronavirus.\u0000","PeriodicalId":10815,"journal":{"name":"Coronaviruses","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139599397","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Viruses represent a significant health menace due to their rapid transmissibility and potential to cause worldwide pandemics, resulting in substantial loss of human life. Antiviral agents play a pivotal role in mitigating the impact of viral infections. Nonetheless, treating viral infections is a multifaceted process due to the inherent characteristics of viruses, such as their capacity to undergo mutations and rapid evolution. Consequently, the effectiveness of current antiviral therapies can be impeded. This review encompasses the diverse manners in which viruses, emphasizing COVID-19, affect the human body and elucidates the challenges encountered in formulating efficacious antiviral treatments. Moreover, the limitations of conventional antiviral therapies are underscored. Additionally, a comprehensive compendium of 41 antiviral drugs is presented, detailing their mechanisms of action and routes of administration. Subsequently, the discussion includes 9 drugs repurposed for treating COVID-19, delineating their primary use as well as any accompanying side effects. In conclusion, while antiviral drugs remain pivotal in the battle against viral infections, the obstacles associated with their development and usage warrant careful consideration. Ongoing research is imperative to devise more potent and less toxic antiviral interventions against COVID-19 infection.
{"title":"Antiviral Medications: Unravelling their Significance in Context to COVID-19","authors":"Rishabh Chalotra, Amanjot Singh, Shivani Chib, Swati Gautam, M. Amanat, Kakul Chaudhary, Manish Kumar, Randhir Singh","doi":"10.2174/0126667975280977231224175043","DOIUrl":"https://doi.org/10.2174/0126667975280977231224175043","url":null,"abstract":"\u0000\u0000Viruses represent a significant health menace due to their rapid transmissibility and\u0000potential to cause worldwide pandemics, resulting in substantial loss of human life. Antiviral agents\u0000play a pivotal role in mitigating the impact of viral infections. Nonetheless, treating viral infections is\u0000a multifaceted process due to the inherent characteristics of viruses, such as their capacity to undergo\u0000mutations and rapid evolution. Consequently, the effectiveness of current antiviral therapies can be\u0000impeded. This review encompasses the diverse manners in which viruses, emphasizing COVID-19,\u0000affect the human body and elucidates the challenges encountered in formulating efficacious antiviral\u0000treatments. Moreover, the limitations of conventional antiviral therapies are underscored.\u0000Additionally, a comprehensive compendium of 41 antiviral drugs is presented, detailing their\u0000mechanisms of action and routes of administration. Subsequently, the discussion includes 9 drugs\u0000repurposed for treating COVID-19, delineating their primary use as well as any accompanying side\u0000effects. In conclusion, while antiviral drugs remain pivotal in the battle against viral infections, the\u0000obstacles associated with their development and usage warrant careful consideration. Ongoing\u0000research is imperative to devise more potent and less toxic antiviral interventions against COVID-19\u0000infection.\u0000","PeriodicalId":10815,"journal":{"name":"Coronaviruses","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139599335","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-01-24DOI: 10.2174/0126667975275539231228072614
Mehdi Zibaei, Shahnaz Halimi, Faranak Rezaei, S. Soroush, P. Shakib
In light of the pivotal role played by personal protective equipment (PPE) in mitigating the transmission of the novel coronavirus, this study aimed to investigate the utilization of personal protective equipment in the context of the COVID-19 pandemic among medical personnel and students affiliated with Lorestan University of Medical Sciences in the year 2019. This cross-sectional, descriptive research study collected essential data, encompassing personal characteristics and inquiries concerning the use of personal protective equipment, the extent of their utilization, training regarding proper equipment use, and adherence to health guidelines, including hand hygiene and disinfectant usage. Data were gathered through a questionnaire developed in accordance with international standards, specifically the PPE Safe Survey. The questionnaire was administered to medical staff, including physicians, nurses, and medical students, working in healthcare facilities that admitted COVID-19 patients within the Lorestan University of Medical Sciences, situated in Khorramabad. Our investigation involved a total of 201 participants, comprising 82 (40.8%) males and 119 (59.2%) females. The average age of the participants was 32 years, with an average daily duration of personal protective equipment utilization amounting to 8.9 hours. Notably, 44 (21.9%) participants worked in emergency wards, 63 (31.3%) in general medical wards, 12 (6.0%) in administrative departments, 14 (7.0%) in surgical units, 11 (5.5%) in anesthesiology, 17 (8.5%) in intensive care units, and 40 (19.9%) in miscellaneous contexts. The study findings underscore the imperative need for healthcare professionals to consistently employ suitable personal protective equipment, encompassing face masks, eye protection, gowns, and eye shields. Furthermore, our study highlights the significance of appropriate training and rigorous adherence to equipment utilization protocols during healthcare tasks, coupled with consistent hand hygiene practices in healthcare facilities.
{"title":"Use of COVID-19 Personal Protective Equipment (PPE) Among\u0000Healthcare Workers in Teaching Hospitals of Khorramabad, Iran","authors":"Mehdi Zibaei, Shahnaz Halimi, Faranak Rezaei, S. Soroush, P. Shakib","doi":"10.2174/0126667975275539231228072614","DOIUrl":"https://doi.org/10.2174/0126667975275539231228072614","url":null,"abstract":"\u0000\u0000In light of the pivotal role played by personal protective\u0000equipment (PPE) in mitigating the transmission of the novel coronavirus, this study aimed to investigate\u0000the utilization of personal protective equipment in the context of the COVID-19 pandemic\u0000among medical personnel and students affiliated with Lorestan University of Medical Sciences in the\u0000year 2019.\u0000\u0000\u0000\u0000This cross-sectional, descriptive research study collected essential data, encompassing\u0000personal characteristics and inquiries concerning the use of personal protective equipment, the extent\u0000of their utilization, training regarding proper equipment use, and adherence to health guidelines, including\u0000hand hygiene and disinfectant usage. Data were gathered through a questionnaire developed\u0000in accordance with international standards, specifically the PPE Safe Survey. The questionnaire was\u0000administered to medical staff, including physicians, nurses, and medical students, working in\u0000healthcare facilities that admitted COVID-19 patients within the Lorestan University of Medical\u0000Sciences, situated in Khorramabad.\u0000\u0000\u0000\u0000Our investigation involved a total of 201 participants, comprising 82 (40.8%) males and 119\u0000(59.2%) females. The average age of the participants was 32 years, with an average daily duration of\u0000personal protective equipment utilization amounting to 8.9 hours. Notably, 44 (21.9%) participants\u0000worked in emergency wards, 63 (31.3%) in general medical wards, 12 (6.0%) in administrative departments,\u000014 (7.0%) in surgical units, 11 (5.5%) in anesthesiology, 17 (8.5%) in intensive care units,\u0000and 40 (19.9%) in miscellaneous contexts.\u0000\u0000\u0000\u0000The study findings underscore the imperative need for healthcare professionals to consistently\u0000employ suitable personal protective equipment, encompassing face masks, eye protection,\u0000gowns, and eye shields. Furthermore, our study highlights the significance of appropriate training\u0000and rigorous adherence to equipment utilization protocols during healthcare tasks, coupled with consistent\u0000hand hygiene practices in healthcare facilities.\u0000","PeriodicalId":10815,"journal":{"name":"Coronaviruses","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139602014","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-19DOI: 10.2174/0126667975269930231112093216
Ritu Kalia, Sanjay Jachak, Akash Dey
In the past couple of decades, several corona virus infections have alarmed the world claiming deaths of huge population over the globe. Effective anti-viral agents have been researched for treatment of COVID-19 infection. Vaccination has come up as an ultimate prevention against SARS-CoV-2virus as many vaccines have been recommended by WHO to be used for prevention from COVID-19. Alternative treatment strategies to combat infection include drug repurposing as well as supportive therapies. Traditional medicines being used from ancient times for different disease conditions provide a wealth of chemical diversity. Different classes of natural products are being utilized to study their antiviral properties and contributed in past for different viral diseases. The aim of current review is to enumerate different secondary metabolites and their pharmacophoric features against corona viruses that can be further optimized to develop more potent inhibitors specific to SARS-CoV-2. This review systematically evaluates natural products and their synthetic/ semisynthetic analogs belonging to terpenoids, polyphenols, saponins, and alkaloids having antiviral activity against coronaviruses. The information obtained from scope of Indian medicinal plants is also discussed which may be evaluated in future against SARS-CoV-2. Thus, it is proposed that the natural products may be used to develop potential inhibitors using the knowledge gained from similar studies to prevent morbidity and mortalities due to SARS-CoV-2.
{"title":"Natural Products as Inhibitors of Coronavirus: An Update","authors":"Ritu Kalia, Sanjay Jachak, Akash Dey","doi":"10.2174/0126667975269930231112093216","DOIUrl":"https://doi.org/10.2174/0126667975269930231112093216","url":null,"abstract":"\u0000\u0000In the past couple of decades, several corona virus infections have alarmed the world\u0000claiming deaths of huge population over the globe. Effective anti-viral agents have been researched\u0000for treatment of COVID-19 infection. Vaccination has come up as an ultimate prevention against\u0000SARS-CoV-2virus as many vaccines have been recommended by WHO to be used for prevention\u0000from COVID-19. Alternative treatment strategies to combat infection include drug repurposing as\u0000well as supportive therapies. Traditional medicines being used from ancient times for different disease\u0000conditions provide a wealth of chemical diversity. Different classes of natural products are being\u0000utilized to study their antiviral properties and contributed in past for different viral diseases. The\u0000aim of current review is to enumerate different secondary metabolites and their pharmacophoric features\u0000against corona viruses that can be further optimized to develop more potent inhibitors specific\u0000to SARS-CoV-2. This review systematically evaluates natural products and their synthetic/ semisynthetic\u0000analogs belonging to terpenoids, polyphenols, saponins, and alkaloids having antiviral activity\u0000against coronaviruses. The information obtained from scope of Indian medicinal plants is also\u0000discussed which may be evaluated in future against SARS-CoV-2. Thus, it is proposed that the natural\u0000products may be used to develop potential inhibitors using the knowledge gained from similar\u0000studies to prevent morbidity and mortalities due to SARS-CoV-2.\u0000","PeriodicalId":10815,"journal":{"name":"Coronaviruses","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138960344","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-18DOI: 10.2174/0126667975275509231211062032
Sumit Kumar, Vikash Kumar
Rosmarinic acid, a natural compound found in various plants like rosemary and lemon balm, may have potential as a multi-targeted inhibitor for SARS-CoV-2, a strain of virus responsible for COVID-19. SARS-CoV-2, a fusion protein of S1 and S2 subunits, has multiple precursors angiotensin-converting enzyme2 (ACE2), transmembrane serine protease 2 (TMPRSS2), papain-like protease (PLpro), and 3-chymotrypsin-like protease (3CLpro). The chemical interaction of Rosmarinic acid with SARS-CoV-2 is of major interest reported here. The quantitative study of Rosmarinic acid with various precursors of SARS-CoV-2 has been accounted for in detail. Furthermore, the conformational flexibility of Rosmarinic acid has also been investigated during the interaction with four different precursors of SARS-CoV-2. This investigation delves deeply into the analysis of various aspects, including geometric parameters, atomic charge, the energy gap between the highest occupied and lowest unoccupied molecular orbitals, dipole moments, and the analysis of non-covalent interactions (NCI). Furthermore, the study incorporates molecular docking techniques in conjunction with thorough quantum chemical calculations to provide comprehensive insights. Rosmarinic acid shows promise as a versatile inhibitor of SARS-CoV-2, the virus responsible for COVID-19. It can target multiple key precursors of the virus, including TMPRSS2, angiotensin- converting enzyme2, 3CLpro, and PLpro, found in the fusion protein comprising S1 and S2 subunits. This study delves into the quantitative analysis of Rosmarinic acid's interactions with these precursors. Its adaptable structure allows it to engage with them effectively. Various molecular parameters, including atomic charge, energy gap between molecular orbitals, dipole moment, and noncovalent interactions, are comprehensively explored. Combining molecular docking and quantum mechanics, the findings suggest Rosmarinic acid's potential as a multi-targeted SARS-CoV-2 inhibitor.
{"title":"Rosmarinic Acid as a Potential Multi-targeted Inhibitor for SAR-CoV-2:\u0000An In silico Virtual Screening Approach","authors":"Sumit Kumar, Vikash Kumar","doi":"10.2174/0126667975275509231211062032","DOIUrl":"https://doi.org/10.2174/0126667975275509231211062032","url":null,"abstract":"\u0000\u0000Rosmarinic acid, a natural compound found in various plants like rosemary\u0000and lemon balm, may have potential as a multi-targeted inhibitor for SARS-CoV-2, a strain of virus\u0000responsible for COVID-19. SARS-CoV-2, a fusion protein of S1 and S2 subunits, has multiple precursors\u0000angiotensin-converting enzyme2 (ACE2), transmembrane serine protease 2 (TMPRSS2),\u0000papain-like protease (PLpro), and 3-chymotrypsin-like protease (3CLpro). The chemical interaction\u0000of Rosmarinic acid with SARS-CoV-2 is of major interest reported here.\u0000\u0000\u0000\u0000The quantitative study of Rosmarinic acid with various precursors of SARS-CoV-2 has\u0000been accounted for in detail. Furthermore, the conformational flexibility of Rosmarinic acid has also\u0000been investigated during the interaction with four different precursors of SARS-CoV-2.\u0000\u0000\u0000\u0000This investigation delves deeply into the analysis of various aspects, including geometric\u0000parameters, atomic charge, the energy gap between the highest occupied and lowest unoccupied molecular\u0000orbitals, dipole moments, and the analysis of non-covalent interactions (NCI). Furthermore,\u0000the study incorporates molecular docking techniques in conjunction with thorough quantum chemical\u0000calculations to provide comprehensive insights.\u0000\u0000\u0000\u0000Rosmarinic acid shows promise as a versatile inhibitor of SARS-CoV-2, the virus responsible\u0000for COVID-19. It can target multiple key precursors of the virus, including TMPRSS2, angiotensin-\u0000converting enzyme2, 3CLpro, and PLpro, found in the fusion protein comprising S1 and S2 subunits.\u0000This study delves into the quantitative analysis of Rosmarinic acid's interactions with these\u0000precursors. Its adaptable structure allows it to engage with them effectively. Various molecular parameters,\u0000including atomic charge, energy gap between molecular orbitals, dipole moment, and noncovalent\u0000interactions, are comprehensively explored.\u0000\u0000\u0000\u0000Combining molecular docking and quantum mechanics, the findings suggest Rosmarinic\u0000acid's potential as a multi-targeted SARS-CoV-2 inhibitor.\u0000","PeriodicalId":10815,"journal":{"name":"Coronaviruses","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138995187","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Sexual activity is one of the main aspects of sexual health, which has been less considered during the COVID-19 pandemic. This study was conducted to compare the sexual activity of women before and after being infected with COVID-19. This descriptive cross-sectional study included 110 women diagnosed with COVID-19. The data were collected before and after one month of quarantine in a 24-hour clinic and a 24-hour referral center for COVID-19 in Pakdasht city, Tehran, Iran. The study was conducted from the spring of 2020 to the winter of 2022. Demographic characteristics questionnaire and FSFI questionnaire were used as data collection tools. Statistical analysis was performed using SPSS version 22. Based on the results, there was a significant difference in the total scores of the women's sexual activity before and after the infection (P˂0.0001). The scores showed a decrease following the infection, and the greater the severity of the infection, the more was the decrease. A significant difference was observed in all domains of the women's sexual activity before and after the infection, indicating that the pre-infection scores were higher (P˂0.05). Given the decreased scores of women's sexual activity after being infected with the coronavirus, more attention should be paid to this area. Women and their spouses should be educated during such pandemics and appropriate planning should be done before similar incidences to avoid long-term negative effects.
{"title":"Comparison of Women's Sexual Activity Before and After being Infected\u0000with COVID-19","authors":"Zohreh Keshavarz, Naimeh Shariatifar, Malihe Nasiri, Zahra Kiani","doi":"10.2174/0126667975278979231213032637","DOIUrl":"https://doi.org/10.2174/0126667975278979231213032637","url":null,"abstract":"\u0000\u0000Sexual activity is one of the main aspects of sexual health, which has been\u0000less considered during the COVID-19 pandemic. This study was conducted to compare the sexual\u0000activity of women before and after being infected with COVID-19.\u0000\u0000\u0000\u0000This descriptive cross-sectional study included 110 women diagnosed with COVID-19.\u0000The data were collected before and after one month of quarantine in a 24-hour clinic and a 24-hour\u0000referral center for COVID-19 in Pakdasht city, Tehran, Iran. The study was conducted from the\u0000spring of 2020 to the winter of 2022. Demographic characteristics questionnaire and FSFI\u0000questionnaire were used as data collection tools. Statistical analysis was performed using SPSS\u0000version 22.\u0000\u0000\u0000\u0000Based on the results, there was a significant difference in the total scores of the women's\u0000sexual activity before and after the infection (P˂0.0001). The scores showed a decrease following the\u0000infection, and the greater the severity of the infection, the more was the decrease. A significant\u0000difference was observed in all domains of the women's sexual activity before and after the infection,\u0000indicating that the pre-infection scores were higher (P˂0.05).\u0000\u0000\u0000\u0000Given the decreased scores of women's sexual activity after being infected with the\u0000coronavirus, more attention should be paid to this area. Women and their spouses should be educated\u0000during such pandemics and appropriate planning should be done before similar incidences to avoid\u0000long-term negative effects.\u0000","PeriodicalId":10815,"journal":{"name":"Coronaviruses","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138995562","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-18DOI: 10.2174/0126667975275824231213112949
Wilson Pearl Evangeline, Sakthivel Nathan Divyasri, Chandrasekaran Akshaya, Sekaran Sruthi, Selvaraj Barathi, Rangasamy Kirubakaran, KN ArulJothi
Vaccines' discovery, manufacturing, and distribution have been on a historic uptick in response to this worldwide COVID-19 pandemic. A handful of vaccines have been approved on an emergency basis after passing minimal clinical trials. There are voids in the existing body of research and the published body of work on phase II and III clinical trial outcomes, efficacy, and recently developed side effects of the approved COVID-19 vaccines. Furthermore, the immunological and methodological insights of successful vaccinations are still unpopular and are not publicly reported. We have attempted to review some major classes of COVID-19 vaccines, namely inactivated viral particle vaccine (BBV152 - Covaxin), mRNA vaccines (BNT162b2 - Pfizer and mRNA-1273- Moderna), viral vector vaccines (Gam-COVID-Vac-Sputnik and ChAdOx1-S-Astrazeneca) and protein subunit vaccine (NVX-CoV2373-Novavax) and discuss their methodological and immunological formulations. This review intends to address the existing literature's gaps and limitations and the vaccine’s safety, efficiency, and effectiveness profiles. This report, by accumulating and comparing the existing publicly available literature and datasheets of the vaccines, concludes that the efficacy of the vaccinations has been found to be 81% for BBV152 (COVAXIN), 94.5% for BNT162b2 (Pfizer), 94.5% for mRNA-1273 (Moderna), 91.6% for Gam-COVID-Vac (Sputnik V), 62–90% for ChAdOx1-S (AstraZeneca), and 96.4% for NVX-CoV2373 (Novavax), demonstrating their efficacy in lowering the severity and frequency of SARS-CoV-2 infection. We conclude that while the commercially approved vaccines have a few limitations regarding clinical trials and side effects, they provide immunity with efficacy ranging from 81% to 96.4% against COVID-19.
{"title":"Methodical and Immunological Insights of Prime COVID-19 Vaccines","authors":"Wilson Pearl Evangeline, Sakthivel Nathan Divyasri, Chandrasekaran Akshaya, Sekaran Sruthi, Selvaraj Barathi, Rangasamy Kirubakaran, KN ArulJothi","doi":"10.2174/0126667975275824231213112949","DOIUrl":"https://doi.org/10.2174/0126667975275824231213112949","url":null,"abstract":"Vaccines' discovery, manufacturing, and distribution have been on a historic uptick in response to this worldwide COVID-19 pandemic. A handful of vaccines have been approved on an emergency basis after passing minimal clinical trials. There are voids in the existing body of research and the published body of work on phase II and III clinical trial outcomes, efficacy, and recently developed side effects of the approved COVID-19 vaccines. Furthermore, the immunological and methodological insights of successful vaccinations are still unpopular and are not publicly reported. We have attempted to review some major classes of COVID-19 vaccines, namely inactivated viral particle vaccine (BBV152 - Covaxin), mRNA vaccines (BNT162b2 - Pfizer and mRNA-1273- Moderna), viral vector vaccines (Gam-COVID-Vac-Sputnik and ChAdOx1-S-Astrazeneca) and protein subunit vaccine (NVX-CoV2373-Novavax) and discuss their methodological and immunological formulations. This review intends to address the existing literature's gaps and limitations and the vaccine’s safety, efficiency, and effectiveness profiles. This report, by accumulating and comparing the existing publicly available literature and datasheets of the vaccines, concludes that the efficacy of the vaccinations has been found to be 81% for BBV152 (COVAXIN), 94.5% for BNT162b2 (Pfizer), 94.5% for mRNA-1273 (Moderna), 91.6% for Gam-COVID-Vac (Sputnik V), 62–90% for ChAdOx1-S (AstraZeneca), and 96.4% for NVX-CoV2373 (Novavax), demonstrating their efficacy in lowering the severity and frequency of SARS-CoV-2 infection. We conclude that while the commercially approved vaccines have a few limitations regarding clinical trials and side effects, they provide immunity with efficacy ranging from 81% to 96.4% against COVID-19.","PeriodicalId":10815,"journal":{"name":"Coronaviruses","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139173464","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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