Human Genetics And Molecular Medicine - Research Publications
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Item In silico phytochemical repurposing of natural molecules as entry inhibitors against RBD of the spike protein of SARS-CoV-2 using molecular docking studies(Inderscience Publishers, 2023-04-18T00:00:00) Gupta, Pawan; Gupta, Swati; Sinha, Sukrat; Sundaram, Shanthy; Sharma, Vishnu K.; Munshi, AnjanaThe receptor binding domain (RBD) of Spike-protein (S-protein) is responsible for virus entry via interaction with host protein ACE2 (angiotensin-converting enzyme 2), present on the cell surface of humans. Therefore, S-protein is an important target to block the entry of the SARS-CoV-2 into the cell for further growth. In the present study, phytochemical repurposing of natural molecules: narirutin, naringin, neohesperidin and hesperidin were performed against the RBD S-protein/ACE2 interface as well as the RBD of the S-protein using molecular docking. These natural molecules were found to have structural similarity to each other and had binding potential against the viral infections. It is first time reported here that the naringin and narirutin are having binding potential against both RBD S-protein/ACE2 interface and active site of RBD of S-protein using binding mode analysis. Hence, this study will open avenues for multitargeting similar natural molecules binding against the SARS-CoV-2 proteins as all reports are made in this single study. Copyright � 2023 Inderscience Enterprises Ltd.Item Currently available COVID-19 management options(Elsevier, 2023-01-20T00:00:00) Ludhiadch, Abhilash; Yadav, Umesh Prasad; Munshi, AnjanaThe pandemic caused by new coronavirus (COVID-19), i.e., severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), started from the Wuhan state of China. COVID-19 is a novel infectious disease characterized by atypical pneumonia with the symptoms like fever, sore throat, fatigue, cough, and dyspnea. As of January 2022, more than 298 million people have been infected with SARS-CoV-2 (WHO). Changes in personal behavior like the use of face masks, proper hand hygiene, social distancing, and some interventions and control measures led by Governments all over the world resulted in decline of SARS-CoV-2 infections globally. The main concern of this pandemic is the risk of transmission and reinfection with new variants of COVID-19, and therefore, this COVID-19 pandemic is still a matter of great concern. It is a major challenge for clinicians and researchers worldwide to develop a specific strategy to eliminate this virus. The complications on account of COVID-19 disease manifest from mild to moderate. Only 5%�10% of the cases show severe and life-threatening complications with an approximately 2% of death rate worldwide [1]. Based on the severity of infection the National Institutes of Health (NIH) has classified COVID-19 into five different stages: asymptomatic infection, mild illness, moderate illness, severe illness, and critical illness [2]. Currently, many supportive measures such as ventilation systems and fluid management are being followed to save lives, but there is a dire need to develop antiviral treatment strategy to counter the spread of this virus completely. The treatment strategies also include blocking of enzymes or proteins that are essential for the survival of the virus, inhibition of viral structural proteins to prevent the affinity with human cells or virion formation, further by stimulating the immunity of the host, and inhibition of receptors in host that aid in entry of the virus. Currently, battling COVID-19 is the top most priority in the scientific world. Various pharmaceutical companies and research fraternities around the globe are working on interventions to reduce the impact of SARS-CoV-2 and prevent subsequent infections. Many clinical trials and animal studies are being carried out to identify the most potent drug alone or combination against the disease. The management of COVID-19 is being achieved by general treatment, specific treatments, and supplementation of vitamins and essential micronutrients like zinc and magnesium. General treatment strategies basically include antiviral therapies, antiinflammatory therapies and use of corticosteroids. The treatment of critically ill patients includes specific treatment strategies such as the use of anti-SARS-CoV-2 neutralizing antibody products, immunomodulatory agents, and oxygenation and ventilation management. Supplementation with vitamin C, vitamin D, magnesium, zinc, etc., is also being used to reduce the symptoms during the course of infection. SARS-CoV-2 infection also poses a risk of developing post-COVID-19 complications in the patients who suffered severe infection [3]. The management of post-COVID complications is currently under focus and there is a need to manage such patients with proper care. The post-COVID complications affect multiple organ systems such as cardiovascular, pulmonary, gastrointestinal, hepatic, neuropsychiatric, hematologic, and several others. Developing a significantly potent treatment will help the medical fraternity to eradicate the virus without overburdening the existing healthcare system. This chapter has been compiled with an aim to sum up information on currently available treatment strategies and management for COVID-19. � 2023 Elsevier Inc. All rights reserved.