Identification of multipotent drugs for COVID-19 therapeutics with the evaluation of their SARS-CoV2 inhibitory activity

Kumar, Satish; Singh, Balveer; Kumari, Pratima; Kumar, Preethy V.; Agnihotri, Geetanjali; Khan, Shaheerah; Beuria, Tushar Kant; Syed, Gulam Hussain; Dixit, Anshuman

doi:10.1016/j.csbj.2021.04.014

Cited by 44 publications

(42 citation statements)

References 154 publications

(51 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Johnson et al reported that stable introduction of the spikeactivating protease TMPRSS2 further enhanced susceptibility to infection by 5-to 10-fold. 45 Kumar et al 47 assessed the activity of montelukast using an in vitro cell culture model of SARS-CoV2 in VeroE6 cells, and the IC 50 of montelukast was measured as 18.82 mM, which fits well with our results.…”

Section: Discussionsupporting

confidence: 86%

The neutralization effect of montelukast on SARS-CoV-2 is shown by multiscale in silico simulations and combined in vitro studies

et al. 2022

View full text Add to dashboard Cite

show abstract

Section: Discussionsupporting

confidence: 86%

The neutralization effect of montelukast on SARS-CoV-2 is shown by multiscale in silico simulations and combined in vitro studies

et al. 2022

View full text Add to dashboard Cite

show abstract

“…Among them two proteases are vital for virus replication which includes chief protease (M PRO ) defined as 3 C-like protease (3CL PRO ) and papain-like protease (PL PRO ) [ 54 , 55 , 56 ]. M PRO and PL PRO process the polypeptide pp1a and pp1ab in a sequence specific manner to generate 16 dissimilar non-structural proteins.…”

Section: Resultsmentioning

confidence: 99%

Synthesis, spectroscopic (FT-IR, FT-Raman, NMR & UV-Vis), reactive (ELF, LOL, Fukui), drug likeness and molecular docking insights on novel 4-[3-(3-methoxy-phenyl)-3-oxo-propenyl]-benzonitrile by experimental and computational methods

Radder

Melavanki

Hiremath

et al. 2021

Heliyon

View full text Add to dashboard Cite

The spectroscopic analysis such as FT-IR, FT-Raman, UV-Vis and NMR are conducted for the synthesized molecule by both experimental and theoretical approach. The theoretical computations were achieved by DFT method with B3LYP functional and 6–311 ++ G (d, P) basis set. Firstly the geometrical parameters obtained by DFT are compared with the related experimental parameters. Experimental FT-IR and FT-Raman spectra of the title molecule have been acquired. The vibrational analysis is conducted and the assignments concerned to the observed bands are mentioned through the potential energy distribution (PED). The GIAO method was employed for theoretical NMR analysis and the results are compared with experimental chemical shifts. In accumulation to these analyses NLO, NBO, FMO and MEP analysis have been conducted to understand the nature of the molecule. ELF and LOL were performed. The drug likeness and molecular docking studies also conducted. The potency of inhibition of molecule against M PRO and PL PRO receptors has been performed using molecular docking studies.

show abstract

“…3CL pro plays an essential role in processing polyproteins, the resultant products of which are subsequently utilized in the production of new virions. Additionally, there is a known clinical crossover between ebastine and levocetirizine, the latter considered more potent [27] , [30] , [31] , [32] , [33] , [34] .…”

Section: Introductionmentioning

confidence: 99%

Levocetirizine and montelukast in the COVID-19 treatment paradigm

May

Gallivan²

2022

International Immunopharmacology

View full text Add to dashboard Cite

Levocetirizine, a third-generation antihistamine, and montelukast, a leukotriene receptor antagonist, exhibit remarkable synergistic anti-inflammatory activity across a spectrum of signaling proteins, cell adhesion molecules, and leukocytes. By targeting cellular protein activity, they are uniquely positioned to treat the symptoms of COVID-19. Clinical data to date with an associated six-month follow-up, suggests the combination therapy may prevent the progression of the disease from mild to moderate to severe, as well as prevent/treat many of the aspects of ‘Long COVID,’ thereby cost effectively reducing both morbidity and mortality. To investigate patient outcomes, 53 consecutive COVID-19 test (+) cases (ages 3–90) from a well-established, single-center practice in Boston, Massachusetts, between March – November 2020, were treated with levocetirizine and montelukast in addition to then existing protocols [2] . The data set was retrospectively reviewed. Thirty-four cases were considered mild (64%), 17 moderate (32%), and 2 (4%) severe. Several patients presented with significant comorbidities (obesity: n = 22, 41%; diabetes: n = 10, 19%; hypertension: n = 24, 45%). Among the cohort there were no exclusions, no intubations, and no deaths. The pilot study in Massachusetts encompassed the first COVID-19 wave which peaked on April 23, 2020 as well as the ascending portion of the second wave in the fall. During this period the average weekly COVID-19 case mortality rate (confirmed deaths/confirmed cases) varied considerably between 1 and 7.5% [37] . FDA has approved a multicenter, randomized, placebo-controlled, Phase 2 clinical trial design, replete with electronic diaries and laboratory metrics to explore scientific questions not addressed herein.

show abstract

Identification of multipotent drugs for COVID-19 therapeutics with the evaluation of their SARS-CoV2 inhibitory activity

Abstract: Graphical abstract

Cited by 44 publications

References 154 publications

The neutralization effect of montelukast on SARS-CoV-2 is shown by multiscale in silico simulations and combined in vitro studies

The neutralization effect of montelukast on SARS-CoV-2 is shown by multiscale in silico simulations and combined in vitro studies

Synthesis, spectroscopic (FT-IR, FT-Raman, NMR & UV-Vis), reactive (ELF, LOL, Fukui), drug likeness and molecular docking insights on novel 4-[3-(3-methoxy-phenyl)-3-oxo-propenyl]-benzonitrile by experimental and computational methods

Levocetirizine and montelukast in the COVID-19 treatment paradigm

Contact Info

Product

Resources

About