Revealing Potential Binding Affinity of FDA Approved Therapeutics Targeting Main Protease (3CLpro) in Impairing Novel Coronavirus (SARS-CoV-2) Replication that Causes COVID-19

Background: Spread of COVID-19 attains a crucial transition in reveling its pandemic across the boundaries. In combating the infection caused by SARS-CoV-2, there is a spectrum of ideal strategies that have been adopted globally, of which repurposing of approved drugs considerably having high clinical relevance. 3-chymotrypsin-like protease (3CL pro) is considered to be the potential target for the researchers as it is highly essential for cleavage of polyprotein to get 16 nonstructural proteins (called nsp1-nsp16). These proteins are highly essential for viral replication and hence become a primary target for enzyme inhibitors. 3CL pro, having a structural projectile helical chain with biologically active site involved in processing viral polyproteins that are evolved from RNA genome translation. Objective(s): The major objective of the present investigation is to evaluate the enzyme inhibition potential of FDA approved therapeutic leads in targeting 3CLpro that medicates the viral replication. Method(s): Docking calculations were carried out for an array of FDA approved molecules which leads to a notable few molecules such as Emtricitabine, Oseltamivir, Ganciclovir, Chloroquine, Baricitinib, Favipiravir, Lopinavir, Ritonavir, Remdesivir, Ribavirin, Tenofovir, Umifenovir, Carbapenam, Ertap-enem and Imipenam which have both specificity and selectivity in terms of binding efficiency against 3CL proenzyme. Result(s): A combinatorial evaluation employing in-silico screening shows a major lead for remdesivir which possesses a substantial affinity to 3CL pro binding on core amino acid residues, such as Leu 27, His 41, Gly 143, Cys 145, His 164, Met 165, Glu 166, Pro 168 and His 172 which share the biological significance in mediating enzymatic action. Results of docking simulation by Autodock over a host of FDA approved molecules show high degree of selectivity and specificity in the increasing order of binding capacity;Remdesivir> Ertapenem> Imipenam> Tenofovir> Umifenovir> Chloroquine> Lopinavir> Ritonavir> Emtricitabine> Ganciclovir> Baricitinib> Ribavirin>Oseltamivir>Favipiravir> Carbapenam. Conclusion(s): Till date, there is no known cure attained for treating COVID-19 infection. In conclusion, lead molecules from already approved sources provoke promising potential which grabs the attention of the clinicians in availing potential therapeutic candidate as a drug of choice in the clinical management of COVID-19 time-dependently.Copyright © 2020 Bentham Science Publishers.

Sars-Cov-2 Novel Corona Virus: Origin and the Vaccination Survey

This paper manages the Origin of Covid (SARS-CoV-2-novel Covid) and the Vaccination view. Within excess of 10 million tainted cases and more than 3 million setbacks at the hour of composing this piece, the original Covid actuated wellbeing disease has arisen as the most serious among every one of the worldwide pandemics. The novel (COVID-19 or 2019-nCoV) was found in Wuhan, Hubei Province, China. Bats were liable for the underlying spread, which was subsequently spread to people by the raccoon canine and palm civet. The normal COVID-19 manifestations are fever, dry hack, and sleepiness. The significant manifestations are trouble breathing, chest torment, and loss of speech. The indications and indications of SARS-CoV-2 prompting COVID-19 completely match those of the occasional or, dust sensitivities and flu as migraine, touchiness of the throat, dry hack, weariness, fever, and at times loss of sensation (Tu et al., year2020). An individual tainted with the diseases of sensitivity to pollen or, flu sensitivity is additionally liable to show temperature that can be recorded with thermo-scanners prompting the individual to turn into a suspect of the sickness. Along these lines, before immunizing, a fast and exact analytic meter or, the pack is the need of great importance to identify the SARS-CoV-2 inferable from the way that the testing in view of PCR is tedious and exorbitant (Sirkeci and Yucesahin, year2020). Copyright © 2022 Wolters Kluwer Medknow Publications. All rights reserved.

Socioeconomic, demographic, and clinical profile of COVID patients in north coastal districts of Andhra Pradesh

Background: The unprecedented outbreak of a contagious respiratory disease caused by a novel coronavirus has led to a pandemic since December 2019, claiming millions of lives. Aims and Objectives: The present study was undertaken to estimate the various risk factors associated with COVID, to study the common presenting symptoms and prognosis, and to estimate the degree of association between computed tomography (CT) value in reverse transcription polymerase chain reaction (RT-PCR) with mode of disease transmission in north coastal districts of Andhra Pradesh. Materials and Methods: This was a cross-sectional study comprising of 1462 COVID-positive individuals. It is based on structured questionnaire on demographic, socioeconomic and symptoms, and correlation of clinical pattern with CT value in RT-PCR and further prognosis. Results: Diabetes (6.7%), hypertension (7.5%), and bronchial asthma (8.6%) are the main comorbid conditions. Middle (44.6%) and low socioeconomic status (47.3%) are more susceptible. Male gender (63.5%) is more affected, especially 16–30 years age group (32.4%). Vaccination offers considerable protection from infection. Contact (59.4%) with known case and travel (31%) are main factors that determine disease transmission. Blood group may not play a role in COVID susceptibility. Health care workers (22.9%) and students (16.2%) are mostly affected. Conclusion: Bronchial asthma, hypertension, and diabetes mellitus are the predominant risk factors associated with COVID. Transmission of the disease is more by virtue of contact with the infected person than by travel. [ FROM AUTHOR] Copyright of Asian Journal of Medical Sciences is the property of Manipal Colleges of Medical Sciences and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full . (Copyright applies to all s.)

Scope of phytotherapeutics in targeting ACE2 mediated Host-Viral Interface of SARS‐CoV2 that causes COVID-19 (preprint)

Severe acute respiratory syndrome coronavirus (SARS-CoV-2) that cause COVID-19 becomes a global threat and spread its pandemicity across the boundaries. Recent demography issued by WHO forecasting the severity of disease prevalence in more than 200 countries resulted in 16,96,588 laboratory confirmed cases excluding 1,05,952 deaths as on 12 April 2020. Countries like USA (4,92,881), Italy (1,52,271), Spain (1,61,852), Germany (1,20,479) are struggling hard to flatten their epidemic curve of COVID-19. Dynamic strategies are of utmost important in order to manage the crucial spread of SARS-CoV-2. Drug of herbal origin may offer reliable therapeutic opportunity in controlling widespread transmission. It was evident from the scientific outcomes that SARS‐CoV-2 gains access in to the host cell through angiotensin-converting enzyme 2 (ACE2) receptors. Hence drugs that reveals potential binding affinity with core amino acid of ACE-2 may expected to interfere the host-viral interaction. In our present investigation 28 lead molecules from well documented medicinal herbs were subjected to molecular docking analysis targeting ACE2 receptor and their potential of impeding host-viral interface were evaluated. Results of computational analysis signifies that out of 28 ligands nearly 11 bioactive lead molecules exhibit potential binding affinity of about 100% with the target amino acid residue (31 Lys and 353 Lys)