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10.1007/s40203-021-00089-8

http://scihub22266oqcxt.onion/10.1007/s40203-021-00089-8
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suck abstract from ncbi


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pmid33842191      In+Silico+Pharmacol 2021 ; 9 (1): 27
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  • Computational screening of FDA approved drugs of fungal origin that may interfere with SARS-CoV-2 spike protein activation, viral RNA replication, and post-translational modification: a multiple target approach #MMPMID33842191
  • Singh R; Gautam A; Chandel S; Sharma V; Ghosh A; Dey D; Roy S; Ravichandiran V; Ghosh D
  • In Silico Pharmacol 2021[]; 9 (1): 27 PMID33842191show ga
  • Coronavirus spread is an emergency reported globally, and a specific treatment strategy for this significant health issue is not yet identified. COVID-19 is a highly contagious disease and needs to be controlled promptly as millions of deaths have been reported. Due to the absence of proficient restorative alternatives and preliminary clinical restrictions, FDA-approved medications can be a decent alternative to deal with the coronavirus malady (COVID-19). The present study aims to meet the imperative necessity of effective COVID-19 drug treatment with a computational multi-target drug repurposing approach. This study focused on screening the FDA-approved drugs derived from the fungal source and its derivatives against the SARS-CoV-2 targets. All the selected drugs showed good binding affinity towards these targets, and out of them, bromocriptine was found to be the best candidate after the screening on the COVID-19 targets. Further, bromocriptine is analyzed by molecular simulation and MM-PBSA study. These studies suggested that bromocriptine can be the best candidate for TMPRSS2, Main protease, and RdRp protein. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1007/s40203-021-00089-8.
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