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1.
Smart Distributed Embedded Systems for Healthcare Applications ; : 129-154, 2023.
Article in English | Scopus | ID: covidwho-20243010

ABSTRACT

More people have died as a result of disease transmission than have died in genuine wars. Despite being a naturally occurring disease, the great influenza epidemic of 1918 killed 20 million people globally during World War I. However, genetic engineering is employed to develop bioweapon agents. Bioweapons are weapons that involve the deliberate use of chemicals and microorganisms to cause sickness and death in people. Because biological agents are readily available and are easy to carry from one location to another, they are less likely to be detected during routine security checks and they are inexpensive to produce. This weapon is both deadly and appealing to use. This paper discusses various bioweapon systems as well as computer-based techniques used in the medical and agricultural fields to detect and counter any disease spread by bioweapons. A mathematical model (SEIR) for the prediction of infectious diseases has been described and modelled, and it can be used to predict cases in certain areas. © 2023 selection and editorial matter, Preeti Nagrath, Jafar A. Alzubi, Bhawna Singla, Joel J. P. C. Rodrigues and A. K. Verma;individual chapters, the contributors.

2.
Relevance of Duties in the Contemporary World: With Special Emphasis on Gandhian Thought ; : 1-389, 2023.
Article in English | Scopus | ID: covidwho-2272378

ABSTRACT

This book reflects on the significance of duties in creating an egalitarian society by collating and contextualizing the relevant literature. It particularly focuses on an appreciation of Gandhi's views on duty to showcase how they remain pertinent to create a cohesive, responsible and value-based society in the present right-dominated world. A viable solution to the current real world problems could be found in exploring the philosophy on duties and the book provides relevant literature in this regard. It undertakes jurisprudential analysis of duty in a rights-dominated world, identifying the gaps in realising the potential of duty to address the critical issues of the present times. It argues that enforcement of rights depends heavily on the observance of duties and proposes coherence in right-duty relationship. Gandhian thought on duty recognises duty as a precursor to rights and emphasises that the observance of duties guarantees the enforcement of rights. The relevance of duties and Gandhian thoughts on the same is not restricted to India but transcends borders with profound appeal. Gandhian thoughts have become even more relevant in the current times to examine the situation of COVID-19 pandemic, racial discrimination (BLM), environmental crises, digital divide, health care and medical care crises, refugee and migrant labour problems and it can offer promising solutions based on the nuances of social solidarity, self realisation of duties/responsibilities, local governance, compassion and humanity. © The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd. 2022.

3.
Asian Case Research Journal ; 2023.
Article in English | Scopus | ID: covidwho-2272377
4.
Current Traditional Medicine ; 9(3) (no pagination), 2023.
Article in English | EMBASE | ID: covidwho-2264998

ABSTRACT

Background: Infectious diseases have posed a major threat to human survival for centu-ries and can devastate entire populations. Recently, the global outbreak of COVID-19 has increased exponentially, affecting more than 200 countries and millions of lives since the fall of 2019, largely due to the ineffectiveness of existing antiviral therapies. WHO announced it a public health emer-gency of international concern. A significant waiting period in antiviral therapy hindered by the rapid evolution of severe acute respiratory syndrome-coronavirus-2 aggravated the situation ensuing imposition of strict laws (e.g., communal dissociation, international travel restrictions, and mainte-nance of hygiene) that would help in inhibiting further outspread of COVID-19. Ayurveda system of medicine offers a holistic approach to the COVID-19 pandemic. Objective(s): This review aims to highlight the potential of medicinal herbs and Ayurvedic drugs as the remedial approach for viral diseases, such as COVID-19. Method(s): We reviewed the literature from journal publication websites and electronic databases, such as Bentham, Science Direct, Pub Med, Scopus, USFDA, etc. Result(s): The drugs used in the traditional system of medicine have the potential to prevent and cure the infected patient. Ayurvedic therapies are known for regulating immunity and rejuvenation properties that behold much promise in the management of COVID-19 disease. Government of India, Ministry of AYUSH recommends some precautionary fitness measures and an increase in immunity with special reference to respiratory health. Conclusion(s): While there is no medication for COVID-19 as of now, taking preventive measures and boosting body immunity is highly recommended. A number of medicinal plants that play an im-portant role in revitalizing the immune system are easily accessible in home remedies.Copyright © 2023 Bentham Science Publishers.

5.
Biointerface Research in Applied Chemistry ; 13(1), 2023.
Article in English | Scopus | ID: covidwho-2244392

ABSTRACT

Increasing victims of viral attacks is a serious concern of the current time as well as soon. The story of virulence was started with the origin of the Spanish flu pandemic of 1918, later severe other viral infections like SARS, MARS, and many others took the life of many people. Currently, the situation is locked in the world because of the unprecedented arrival of the COVID-19 from the Wuhan, city of China. The current need turned to make suitable candidates with the existing safety data, to get the molecule in a limited period. Because of that, the quinolone 3-carboxy derivatives were docked with many targets enzyme, but the interaction with gp-41 was found interactive, which is represented with interactive binding energy scores. In this regard, the validated target of the virus likes HIV. COVID-19 and other viruses were utilized to see the beneficial interactions. The present research is based on the Quinoline-3carboxy derivatives and their interaction with gp41. The gp41 has been found with the highest similarity with the S2 protein of the Coronavirus;targeting this protein will inhibit the interaction of cells and viruses. The in silico results were found encouraging with the suitable interactions with the amino acid residues. The results give us the hope to develop a lead for the inhibition of viral infection, including HIV, flu, and Coronavirus. The result is summarized with all the in silico docking and residual interaction with the reasonable concept of lead to go further in the drug discovery process. © 2022 by the authors.

6.
International Journal of Workplace Health Management ; 2023.
Article in English | Web of Science | ID: covidwho-2227049

ABSTRACT

PurposeThe COVID-19 pandemic continues to challenge healthcare systems worldwide. The authors examined the lived experiences and perceptions of healthcare workers (HCWs) in managerial and senior positions to explore the pandemic's effects on well-being and valued organisational responses.Design/methodology/approachUsing purposive sampling, the authors conducted 39 semi-structured interviews with senior staff including health service administrators, heads of department and senior clinicians at a designated COVID-19 facility in New South Wales, Australia. Interviews were conducted from November 2020 to February 2021 to reflect on experiences during the height of the pandemic in 2020 (mid-March to the end of May 2020).FindingsWorkplace experiences affecting HCWs' well-being included being shunned by others, fear of infecting family, fear of the unknown, concerns about personal protective equipment, lack of direction from above and increased workload. Organisational interventions to protect the health and safety of HCWs and their patients included redeployment, improved communication, effective management committees, education and mental health supports.Practical implicationsOrganisations can minimise worker-identified factors threatening their well-being during a health crisis by applying broad-ranging initiatives including inclusive and open communication, promoting flexible work practices, providing up-to-date guidelines and policies and fostering camaraderie between workers.Originality/valueThe voices of senior clinical and managerial staff have been largely unheard during the COVID-19 pandemic. The authors addressed this deficit by describing their experiences and insights regarding the pandemic's impact on well-being and the organisation's responses to simultaneously safeguarding its staff and providing quality patient care.

7.
Annual Review of Fluid Mechanics ; 55:193-211, 2023.
Article in English | Web of Science | ID: covidwho-2233356

ABSTRACT

Although face masks have been used for over a century to provide protection against airborne pathogens and pollutants, close scrutiny of their effectiveness has peaked in the past two years in response to the COVID-19 pandemic. The simplicity of face masks belies the complexity of the physical phenomena that determine their effectiveness as a defense against airborne infections. This complexity is rooted in the fact that the effectiveness of face masks depends on the combined effects of respiratory aerodynamics, filtration flow physics, droplet dynamics and their interactions with porous materials, structural dynamics, physiology, and even human behavior. At its core, however, the face mask is a flow-handling device, and in the current review, we take a flow physics-centric view of face masks and the key phenomena that underlie their function. We summarize the state of the art in experimental measurements, as well as the growing body of computational studies that have contributed to our understanding of the factors that determine the effectiveness of face masks. The review also lays out some of the important open questions and technical challenges associated with the effectiveness of face masks.

8.
Medical Journal of Dr DY Patil Vidyapeeth ; 15(8):306-310, 2022.
Article in English | Scopus | ID: covidwho-2202070

ABSTRACT

Introduction: In the basic setting of the Coronavirus pandemic, medical care workers are at the forefront, participating directly in the consideration, determination, and therapy of patients with Coronavirus from the last two years. This exposes them to a higher danger of creating ongoing pressure, mental misery, and some other psychological wellness side effects. Objective: To evaluate stress, serum cortisol level, and blood pressure in a health workers population and, in addition, to measure serum cortisol concentration as a current biomarker of stress. Materials and Methods: Sixty health workers (22 men & 38 women) from Dedicated Covid Hospital and Dedicated Covid health Centre were included in this study. In these participants, after obtaining the data of socio-demography and perceived stress, serum cortisol was measured by automated chemiluminescent method. This is a hospital-based cross-sectional study. The studied population was divided into two groups: Group A (workers in direct contact with Covid patients) and Group B (workers not in direct contact with patients). Stress scores, serum morning cortisol levels, systolic and diastolic BP and heart rate of all the participants were measured and compared with controls using a Student's t-test. Stress scores of HCW in direct contact with patients were correlated with heart rate, systolic and diastolic BP, and serum morning cortisol levels and Pearson correlation coefficient (r) were calculated. Results: Stress scores are significantly increased whereas serum morning cortisol levels, heart rate and systolic and diastolic BP were non-significantly increased in Group A as compared with controls that is, Group B (P < 0.05). Stress scores of HCW in direct contact with patients were found to correlate strongly with serum morning cortisol levels, heart rate and systolic and diastolic BP with r values 0.397 (P < 0.0001), 0.322 (P < 0.001), 0.717 (P < 0.001), and 0.810 (P < 0.0001), respectively. Conclusion: Stress scores were elevated in HCW in direct contact with patients and were strongly correlated with serum cortisol levels, heart rate, and BP. It is the responsibility of the health authorities to implement strategies to manage this psychological stress. © 2022 Medical Journal of Dr. D.Y. Patil Vidyapeeth ;Published by Wolters Kluwer - Medknow.

9.
Hepatology ; 76(Supplement 1):S1182-S1183, 2022.
Article in English | EMBASE | ID: covidwho-2157778

ABSTRACT

Background: Hepatic osteodystrophy includes osteoporosis in liver cirrhosis (LC). The presence of osteoporosis has long term impact in patients of LC in both pre-and post liver transplant setting. Zoledronic acid is a third generation bisphosphonate. Compared to oral bisphosphonates, it has added benefit of no risk of esophagitis and intravenous administration on annual basis. Limited data is available on use of zoledronic acid in patients of LC. We evaluated safety and efficacy of zoledronic acid as add on therapy to calcitriol in patients of LC with osteoporosis. Method(s): A prospective controlled randomized, open label clinical trial was conducted at tertiary care center in patients of liver cirrhosis from March 2020 till January 2022. Trial was registered with Clinical trial registry CTRI/2020/03/024247 dated 25.03.2020. Patients of LC were screened with DEXA scan. Diagnosis of osteoporosis was made with z-score <-2.0 and/or t-score <-2.5 at LS-spine and/or hip. At baseline bone mineral density (BMD) at spine and hip and FRAX (fracture risk assessment tool) score major osteoporotic (MO) and major hip (MH) were determined. Patients were divided into group I zoledronic acid (5 mg intravenous single dose) + SMT, Group II standard medical therapy (SMT) (oral calcitriol 0.25 mug BID and calcium 500 mg BID) for 12 months. Primary end points included DELTABMD at spine and hip, DELTAFRAX score MO and DELTAFRAX score MH at 12 months. Secondary end points included any pathological fracture, change in serum calcium, phosphorus, ALP, vitamin D levels and quality of life (QOL) assessment by IOF QoL QUALEFFO-41 at 12 months. Result(s): Out of 117 patients of LC, 58 had osteoporosis. Finally, 49 patients were randomized with 25 patients allocated to group I and 24 to group II. Due to COVID-19 pandemic enrolment was severely affected and 11 patients were lost to follow up. An intention to treat analysis was done. In primary end points, BMD increased from baseline to 12 months in Group I at LS spine (0.742+/-0.016 to 0.93+/-0.02, P<0.001) and right hip (0.744+/-0.019 to 0.923+/-0.039, P<0.02) as compared to group II at LS-spine (0.77+/-0.01 to 0.77+/-0.02, P=0.6) and right hip (0.808+/-0.022 to 0.81+/-0.21, P=0.09) gm/cm3 respectively. The FRAX score MO (3.16 to 1.91, P<0.001) and FRAX score MH (1.47 to 0.55, P<0.001) decreased from baseline to values at 12 months in group I as compared to group II FRAX score MO (2.97 to 2.82, P=0.07) and FRAX score MH (1.3 to 1.19, P=0.17) respectively. In secondary end points, no significant change was seen in presence of any pathological fracture or serum calcium, phosphorus, ALP and vitamin D levels. QUALEFFO score increased by +13.8 (28.7%) which was statistically significant (P<0.001) compared to baseline QUALEFFO score. No significant difference for adverse effects was noted between two groups. Conclusion(s): Zoledronic acid was safe and effective in improving BMD and FRAX score MO and MH, QUALEFFO score at 12 months in patients of LC with osteoporosis as compared to SMT. (Figure Presented).

10.
Journal of Pharmaceutical Negative Results ; 13:2266-2268, 2022.
Article in English | EMBASE | ID: covidwho-2164816
11.
Journal of Acute Disease ; 11(4):156-160, 2022.
Article in English | EMBASE | ID: covidwho-2066826

ABSTRACT

Objective: To explore risk factors of mucormycosis in COVID-19 recovered patients. Methods: A total of 101 patients, who were diagnosed with mucormycosis after recovery from COVID-19 and admitted to the Indira Gandhi Institute of Medical Sciences, Patna, a tertiary care hospital in India, were included in the study. The presenting clinical features and associated risk factors were assessed and analyzed subsequently. Results: Of 101, 68 (67.3%) were males, and 33 (32.7%) were females. A total of 89 (88.1%) patients were between 46 and 65 years old. The most common subtypes were rhino-ocular (61.4%), followed by paranasal sinuses (16.8%), rhino-ocular cerebral (16.8%), ocular (3.0%), and pulmonary (2.0%). Diabetes mellitus was present in 71% of cases of mucormycosis as co-morbidities. A total of 76.2% of patients were given systemic corticosteroids in oral or intravenous form during COVID-19 treatment. Severe COVID-19 was present in 45.5% of patients with mucormycosis, while the moderate infection was present in 35.6% of mucormycosis. Most patients had gap between the onset of mucormycosis and COVID-19 <15 d. Conclusions: A lethal confluence of uncontrolled diabetes mellitus, corticosteroid usage, and COVID-19 could cause a dramatic rise in mucormycosis. So, clinicians must be aware of these risk factors in patients suffering as well as recovering from COVID-19 to prevent mucormycosis.

12.
Herbal Medicines: A Boon for Healthy Human Life ; : 471-500, 2022.
Article in English | Scopus | ID: covidwho-2048811

ABSTRACT

A new mutated coronavirus named Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2) was detected first time in Wuhan, China, in 2019. The novel SARS-CoV-2 causes a respiratory disease in humans called COVID-19. Currently, the COVID-19 spread globally with over 127 million confirmed cases, of which 110 million recovered with 27 million deaths. Several broad-spectrum antivirals, remdesivir, lopinavir/ritonavir, and arbidol and antimalarial drug hydroxychloroquine, have been suggested to treat COVID-19. However, now COVID vaccines are available for SARS-CoV-2. Alternatively, researchers have been searching for novel anti-SARS-CoV-2 phytochemicals from plants, to be used as a framework for the development of new therapeutic agents for COVID-19. For this, researchers have been performing large-scale screening of anti-SARS-CoV-2 phytochemicals using in-silico approaches, against the SARS-CoV-2 targets such as spike glycoprotein (S), chymotrypsin-like cysteine protease (3CLpro), papain-like cysteine protease (PLpro), and RNA-dependent RNA polymerase (RdRp). In this chapter, we have discussed in-silico approaches and their contribution to the robust screening of phytochemicals with anti-SARS-CoV-2 potential. © 2022 Elsevier Inc. All rights reserved.

13.
Journal of Clinical and Diagnostic Research ; 16(7):CC24-CC26, 2022.
Article in English | Web of Science | ID: covidwho-1979656

ABSTRACT

Introduction: Healthcare workers (HCW's) are at the frontline of the Coronavirus Disease-2019 (COVID-19) pandemic, participating directly in the diagnosis and treatment of Coronavirus patients for the past two years. This puts them at a larger risk of causing long-term stress, mental anguish, and other negative psychological impacts. Aim: To evaluate stress score, serum lipid profile and blood COVID Health centre (DCHC) among HCWs, and to correlate the perception of psychological stress with serum lipid profile. Materials and Methods: This was a hospital-based cross-sectional study conducted from the month of March 2021 to August 2021. Seventy-five HCWs (35 men and 40 women) from DCH and DCHC were included in this study. In these participants, socio-demographic and perceived stress, serum lipid profile was measured. The studied population was divided into two groups: Group A (HCWs in direct contact with COVID-19 patients) and Group B (HCWs not in direct contacts with patients). Stress scores, serum lipid levels, systolic and diastolic Blood Pressure (SBP and DBP) of all the participants were measured and compared with that of controls, using Student's t-test. Stress scores of HCWs in direct contact with patients were correlated with SBP and DBP and serum lipid profile by using Pearson correlation coefficient (r). Results: Stress levels were significantly higher in Group A (p>0.05), but serum lipid levels were not significant. Stress levels of Group A were found to correlate strongly with blood Total Cholesterol (TC), (p<0.001) serum Triglyceride (TG), (p<0.01) High Density Lipoprotein (HDL), Low Density Lipoprotein (LDL), Very Low Density Lipoprotein (VLDL), LDL/HDL, and SBP and DBP (p<0.001). Conclusion: Stress scores were elevated in HCWs in direct contact with patients (Group A) and these strongly correlate with serum lipid levels and BP. The health authorities are responsible for implementation of strategies to manage this psychological stress.

14.
1st International Conference on Computing, Communication and Green Engineering, CCGE 2021 ; 2021.
Article in English | Scopus | ID: covidwho-1901432

ABSTRACT

Indian m-health app Aarogya Setu has made a significant contribution in terms of contactability tracing and disease management during the initial days of the COVID-19 pandemic, with its contact tracking approach to infectious individuals and its health tips for eliminating new coronaviruses. The goal of this study is to forecast whether or not Indian consumers will continue to use this app. According to previous studies, the context or setting has a substantial impact on the customer's perceived value. The current study's unique setting is to investigate the parameters impacting Indians' ongoing use of the mobile mHealth app AarogyaSetu. An extended technology adoption model (TAM) has been proposed and tested to achieve this wide goal, with the addition of three additional constructs: social influence, health consciousness, and trust in the app developer. © 2021 IEEE.

15.
Journal of Developmental and Behavioral Pediatrics ; 43(2):E136-E136, 2022.
Article in English | Web of Science | ID: covidwho-1866074
16.
Lung India ; 39(SUPPL 1):S158, 2022.
Article in English | EMBASE | ID: covidwho-1857505

ABSTRACT

Background: SARS -COV-2 has presented with varied symptoms and a number of factors determine clinical outcome. While hypoxemic respiratory failure remains main cause of morbidity and mortality, a hyperinflammatory state induced endothelial injury and hypercoagulability leading to thromboembolism also is a leading cause of mortality. Case Sudy: A 60-year-old diabetic, hypertensive, nonsmoker, male presented with complaints of cough, fever and breathlessness since 3 days. Patient presented with tachypnea and maintaining saturation of 85% on room air, CT severity score was 13/25. Patient was treated in ICU with Noninvasive ventilation, prophylactic Enoxaparin, Remdesivir and steroids. Patient's respiratory status was deteriorating and was intubated, kept on mechanical ventilator and later tracheostomy was done. During the course of illness patient developed pain over right foot which progressed to gangrene and ischemia over left foot .CT- Aortogram done showed complete occlusion of infra-renal abdominal aorta. Discussion: Patient developed progressive elevation of D-dimer even after thromboprophylaxis with enoxaparin. However gangrene progression was irreversible once set in, even though patient was switched over to high dose anticoagulants, with antiplatelet along with Phosphodiesterase inhibitor, implying that high degree of coagulation cascade disruption is potentially irreversible. Conclusion: To start increased dose of initial thromboprophylaxis in patient with high CT severity.

17.
Biointerface Research in Applied Chemistry ; 13(1), 2023.
Article in English | Scopus | ID: covidwho-1789941

ABSTRACT

Increasing victims of viral attacks is a serious concern of the current time as well as soon. The story of virulence was started with the origin of the Spanish flu pandemic of 1918, later severe other viral infections like SARS, MARS, and many others took the life of many people. Currently, the situation is locked in the world because of the unprecedented arrival of the COVID-19 from the Wuhan, city of China. The current need turned to make suitable candidates with the existing safety data, to get the molecule in a limited period. Because of that, the quinolone 3-carboxy derivatives were docked with many targets enzyme, but the interaction with gp-41 was found interactive, which is represented with interactive binding energy scores. In this regard, the validated target of the virus likes HIV. COVID-19 and other viruses were utilized to see the beneficial interactions. The present research is based on the Quinoline-3carboxy derivatives and their interaction with gp41. The gp41 has been found with the highest similarity with the S2 protein of the Coronavirus;targeting this protein will inhibit the interaction of cells and viruses. The in silico results were found encouraging with the suitable interactions with the amino acid residues. The results give us the hope to develop a lead for the inhibition of viral infection, including HIV, flu, and Coronavirus. The result is summarized with all the in silico docking and residual interaction with the reasonable concept of lead to go further in the drug discovery process. © 2022 by the authors.

18.
Information Discovery and Delivery ; 49(3):193-202, 2021.
Article in English | Web of Science | ID: covidwho-1691709

ABSTRACT

Purpose - Using data from Twitter, the purpose of this paper is to assess the coping behaviour and reactions of social media users in response to the initial days of the COVID-19-related lockdown in different parts of the world. Design/methodology/approach - This study follows the quasi-inductive approach which allows the development of pre-categories from other theories before the sampling and coding processes begin, for use in those processes. Data was extracted using relevant keywords from Twitter, and a sample was drawn from the Twitter data set to ensure the data is more manageable from a qualitative research standpoint and that meaningful interpretations can be drawn from the data analysis results. The data analysis is discussed in two parts: extraction and classification of data from Twitter using automated sentiment analysis;and qualitative data analysis of a smaller Twitter data sample. Findings - This study found that during the lockdown the majority of users on Twitter shared positive opinions towards the lockdown. The results also found that people are keeping themselves engaged and entertained. Governments around the world have also gained support from Twitter users. This is despite the hardships being faced by citizens. The authors also found a number of users expressing negative sentiments. The results also found that several users on Twitter were fence-sitters and their opinions and emotions could swing either way depending on how the pandemic progresses and what action is taken by governments around the world. Research limitations/implications - The authors add to the body of literature that has examined Twitter discussions around H1N1 using in-depth qualitative methods and conspiracy theories around COVID-19. In the long run, the government can help citizens develop routines that help the community adapt to a new dangerous environment - this has very effectively been shown in the context of wildfires in the context of disaster management. In the context of this research, the dominance of the positive themes within tweets is promising for policymakers and governments around the world. However, sentiments may wish to be monitored going forward as large-spikes in negative sentiment may highlight lockdown-fatigue. Social implications - The psychology of humans during a pandemic can have a profound impact on how COVID-19 shapes up, and this shall also include how people behave with other people and with the larger environment. Lockdowns are the opposite of what societies strive to achieve, i.e. socializing. Originality/value - This study is based on original Twitter data collected during the initial days of the COVID-19-induced lockdown. The topic of "lockdowns" and the "COVID-19" pandemic have not been studied together thus far. This study is highly topical.

19.
New Microbes New Infect ; 41: 100878, 2021 May.
Article in English | MEDLINE | ID: covidwho-1164257

ABSTRACT

The current pandemic of coronavirus disease 2019 (COVID-19) caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has raised global health concerns. RNA-dependent RNA polymerase (RdRp) is the prime component of viral replication/proliferation machinery and is considered to be a potential drug target against SARS-CoV-2. The present study investigated the anti-RdRp activity of phytochemicals against SARS-CoV-2 infection. Virtual ligand screening was carried out to determine the potent compounds against RdRp. Molecular docking and an MD Simulation study were employed to evaluate the spatial affinity of selected phytochemicals for the active sites of RdRp. Structural stability of target compounds was determined using root mean square deviation computational analysis and drug-like abilities were investigated using ADMET. Bond distances between ligand and receptor were marked to predict the strength of interaction. Aloe, azadirachtin, columbin, cirsilineol, nimbiol, nimbocinol and sage exhibited the highest binding affinities and interacted with active sites of RdRp, surpassing the ability of chloroquine, lamivudine, favipiravir and remdesivir to target the same. All the natural metabolites exhibited stable conformation during MD Simulation of 101 ns at 310 K. Kinetic, potential and electrostatic energy were observed to be least in the case of natural metabolites in comparison with synthetic analogues. Deviations and fluctuations were observed to be structurally least in target phytochemicals. Physiochemical and biological properties of these compounds further validated their drug-like properties. Non-bonded distance was found to be short enough to form hydrogen bonding or hydrophobic interactions, which revealed that these target compounds can strongly bind with RdRp. The study found potential phytochemicals to disrupt the replication domain of SARS-CoV-2 by hindering RdRp. We therefore anticipate that the current findings could be considered as valuable for the development of an efficient preventive/therapeutic expedient against COVID-19.

20.
Value in Health ; 23:S557-S557, 2020.
Article in English | Web of Science | ID: covidwho-1097684
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