A Critical Study on Acylating and Covalent Reversible Fragment Inhibitors of SARS‐CoV‐2 Main Protease Targeting the S1 Site with Pyridine
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DOI: 10.1002/cmdc.202200635
Abstract: SARS coronavirus main proteases (3CL proteases) have been validated as pharmacological targets for the treatment of coronavirus infections. Current inhibitors of SARS main protease, including the clinically admitted drug nirmatrelvir are peptidomimetics with the downsides… read more here.
Keywords: inhibitors sars; main protease; covalent; site ... See more keywords
Identification of mutation resistance coldspots for targeting the SARS‐CoV2 main protease
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DOI: 10.1002/iub.2465
Abstract: Mutations in the novel coronavirus SARS‐CoV2 are the major concern as they might lead to drug/vaccine resistance. In the host cell, the virus largely depends on the main protease (Mpro) to regulate infection hence it… read more here.
Keywords: sars cov2; active site; main protease; resistance ... See more keywords
Discovery of Isojacareubin as a covalent inhibitor of SARS‐CoV‐2 main protease using structural and experimental approaches
Sign Up to like & getrecommendations! Published in 2023 at "Journal of Medical Virology"
DOI: 10.1002/jmv.28542
Abstract: The ongoing pandemic with the emergence of immune evasion potential and, particularly, the current omicron subvariants intensified the situation further. Although vaccines are available, the immune evasion capabilities of the recent variants demand further efficient… read more here.
Keywords: main protease; inhibitor; sars cov; isojacareubin covalent ... See more keywords
Screening of Clinically Approved and Investigation Drugs as Potential Inhibitors of SARS-CoV-2: A Combined in silico and in vitro Study.
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DOI: 10.1002/minf.202100062
Abstract: In the current study, we used 7922 FDA approved small molecule drugs as well as compounds in clinical investigation from NIH's NPC database in our drug repurposing study. SARS-CoV-2 main protease as well as Spike… read more here.
Keywords: inhibitors sars; study; investigation; main protease ... See more keywords
Plant‐derived chemicals as potential inhibitors of SARS‐CoV‐2 main protease (6LU7), a virtual screening study
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DOI: 10.1002/ptr.7041
Abstract: SARS‐CoV‐2 has caused millions of infections and more than 700,000 deaths. Taking the urgent need to find new therapeutics for coronavirus disease 2019 (COVID‐19), a dataset of plant‐based natural compounds was selected for the screening… read more here.
Keywords: protease; plant derived; binding energy; main protease ... See more keywords
Hunting the main protease of SARS-CoV-2 by plitidepsin: Molecular docking and temperature-dependent molecular dynamics simulations
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DOI: 10.1007/s00726-021-03098-1
Abstract: COVID-19 has shaken all the countries across the globe and researchers are trying to find promising antiviral to cure the patients suffering from infection and can decrease the death. Even, different nations are using repurposing… read more here.
Keywords: plitidepsin; main protease; sars cov; protease sars ... See more keywords
Ciprofloxacin and moxifloxacin could interact with SARS-CoV-2 protease: preliminary in silico analysis
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DOI: 10.1007/s43440-020-00169-0
Abstract: Background A large body of research has focused on fluoroquinolones. It was shown that this class of synthetic antibiotics could possess antiviral activity as a broad range of anti-infective activities. Based on these findings, we… read more here.
Keywords: covid main; protease; ciprofloxacin moxifloxacin; main protease ... See more keywords
TAT-peptide conjugated repurposing drug against SARS-CoV-2 main protease (3CLpro): Potential therapeutic intervention to combat COVID-19
Sign Up to like & getrecommendations! Published in 2020 at "Arabian Journal of Chemistry"
DOI: 10.1016/j.arabjc.2020.09.037
Abstract: The Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) that originated in Chinese city of Wuhan has caused around 906,092 deaths and 28,040,853 confirmed cases worldwide (WHO, 11 September, 2020). In a life-threatening situation, where there… read more here.
Keywords: protease 3clpro; drug; covid; main protease ... See more keywords
Molecular dynamics analysis of phytochemicals from Ageratina adenophora against COVID-19 main protease (Mpro) and human angiotensin-converting enzyme 2 (ACE2)
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DOI: 10.1016/j.bcab.2021.101924
Abstract: The outbreak of COVID-19 created unprecedented strain in the healthcare system. Various research revealed that COVID-19 main protease (Mpro) and human angiotensin-converting enzyme 2 (ACE2) are responsible for viral replication and entry into the human… read more here.
Keywords: covid main; mpro human; molecular dynamics; main protease ... See more keywords
Discovery of novel inhibitors against main protease (Mpro) of SARS-CoV-2 via virtual screening and biochemical evaluation
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DOI: 10.1016/j.bioorg.2021.104767
Abstract: SARS-CoV-2 is the pathogen that caused the global COVID-19 outbreak in 2020. Promising progress has been made in developing vaccines and antiviral drugs. Antivirals medicines are necessary complements of vaccines for post-infection treatment. The main… read more here.
Keywords: virtual screening; protease; main protease; discovery novel ... See more keywords
Novel inhibitors of the main protease enzyme of SARS-CoV-2 identified via molecular dynamics simulation-guided in vitro assay
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DOI: 10.1016/j.bioorg.2021.104862
Abstract: For the COVID-19 pandemic caused by SARS-CoV-2, there are currently no effective drugs or vaccines to treat this coronavirus infection. In this study, we focus on the main protease enzyme of SARS-CoV-2, 3CLpro, which is… read more here.
Keywords: sars cov; main protease; protease enzyme; enzyme sars ... See more keywords