FLAVONOIDS AS POTENTIAL DRUG AGAINST POST-COVID-19 MUCORMYCOSIS: AN IN-SILICO STUDY
International Journal of Pharmaceutical Sciences and Research
; 13(9):3786-3791, 2022.
Article
in English
| EMBASE | ID: covidwho-2033428
ABSTRACT
Covid-19 associated mucormycosis rose sharply during India’s 2nd wave of coronavirus infections. The administration of immunosuppressive drugs led to increased susceptibility of patients to oppurtunistic diseases like mucormycosis. One of the causative species of mucormycosis is Rhizopus microsporus. For this study, we choose two chalcones and examined their ability to act as potential anti-mucormycosis agents by inhibiting the R. microsporus endo β-1,4-Mannanase protein. We studied their possibility to inhibit the SARSCoV-2 main protease and RNA dependent RNA polymerase. The chalcones were docked against the proteins of interest using Autodock 4.0 followed by Molecular dynamics simulation. Our study revealed that 2’, 4’-dihydroxychalcone had the best docking with the endo β-1,4-Mannanase protein with steady root mean square deviation values and showed favourable docking with the SARS-CoV-2 proteins while passing all the drug likeliness filters. Thus 2’, 4’-dihydroxychalcone can be put through further verification to test its efficacy against the causative agents of mucormycosis and the Covid-19 pandemic.
article; comparative effectiveness; computer model; coronavirus disease 2019; drug efficacy; filter; human; molecular dynamics; mucormycosis; nonhuman; pandemic; root mean squared error; Severe acute respiratory syndrome coronavirus 2; beta mannosidase; chalcone derivative; coronavirus 3C protease; endogenous compound; flavonoid; RNA directed RNA polymerase; unclassified drug
Full text:
Available
Collection:
Databases of international organizations
Database:
EMBASE
Topics:
Long Covid
Language:
English
Journal:
International Journal of Pharmaceutical Sciences and Research
Year:
2022
Document Type:
Article
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