FLAVONOIDS AS POTENTIAL DRUG AGAINST POST-COVID-19 MUCORMYCOSIS: AN IN-SILICO STUDY
AbstractCovid-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 SARS-CoV-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 Information
45
3786-3791
696 KB
339
English
IJPSR
Jitul Barman, Abani Kumar Patar and Taranga Jyoti Baruah
Department of Biochemistry, Assam Royal Global University, Guwahati, Assam, India.
taranga18@gmail.com
20 January 2022
13 March 2022
27 April 2022
10.13040/IJPSR.0975-8232.13(9).3786-91
01 September 2022
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