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.jpg): Failed to open stream: No such file or directory in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 117 Biosci+Rep
2020 ; 40
(6
): ä Nephropedia Template TP
gab.com Text
Twit Text FOAVip
Twit Text #
English Wikipedia
Glecaprevir and Maraviroc are high-affinity inhibitors of SARS-CoV-2 main
protease: possible implication in COVID-19 therapy
#MMPMID32441299
Shamsi A
; Mohammad T
; Anwar S
; AlAjmi MF
; Hussain A
; Rehman MT
; Islam A
; Hassan MI
Biosci Rep
2020[Jun]; 40
(6
): ä PMID32441299
show ga
Due to the lack of efficient therapeutic options and clinical trial limitations,
the FDA-approved drugs can be a good choice to handle Coronavirus disease
(COVID-19). Many reports have enough evidence for the use of FDA-approved drugs
which have inhibitory potential against target proteins of Severe Acute
Respiratory Syndrome Coronavirus 2 (SARS-CoV-2). Here, we utilized a
structure-based drug design approach to find possible drug candidates from the
existing pool of FDA-approved drugs and checked their effectiveness against the
SARS-CoV-2. We performed virtual screening of the FDA-approved drugs against the
main protease (Mpro) of SARS-CoV-2, an essential enzyme, and a potential drug
target. Using well-defined computational methods, we identified Glecaprevir and
Maraviroc (MVC) as the best inhibitors of SARS-CoV-2 Mpro. Both drugs bind to the
substrate-binding pocket of SARS-CoV-2 Mpro and form a significant number of
non-covalent interactions. Glecaprevir and MVC bind to the conserved residues of
substrate-binding pocket of SARS-CoV-2 Mpro. This work provides sufficient
evidence for the use of Glecaprevir and MVC for the therapeutic management of
COVID-19 after experimental validation and clinical manifestations.