Studies on the interactions of Ti-containing polyoxometalates (POMs) with SARS-CoV 3CLpro by molecular modeling
نویسندگان
چکیده
منابع مشابه
Profiling of Substrate Specificity of SARS-CoV 3CLpro
BACKGROUND The 3C-like protease (3CL(pro)) of severe acute respiratory syndrome-coronavirus is required for autoprocessing of the polyprotein, and is a potential target for treating coronaviral infection. METHODOLOGY/PRINCIPAL FINDINGS To obtain a thorough understanding of substrate specificity of the protease, a substrate library of 198 variants was created by performing saturation mutagenes...
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The novel coronavirus, severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) has introduced as causative agent for coronavirus disease 2019 (COVID-19) since the 2019 December. Human coronaviruses are classified in Nidovirales order and Coronavirdiae family. This family includes four genera. The SARS-CoV-2 is a member of Betacoronavirus genera and Sarbecovirus linage (linage B). There is ...
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Kinetic and DFT studies revealed that protonation of Ti-containing polyoxometalates (Ti-POM) lowers significantly the energy barrier for the heterolytic oxygen transfer from the Ti hydroperoxo intermediate to the alkene, increasing the activity and selectivity of alkene oxidation.
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Introduction: We are currently faced with a global epidemic of a new coronavirus (SARS-CoV-2) that It affects not only thousands of people in China, but all over the world. The rapid increase in cases appears to be related to the active genome of the virus, which may affect its pathogenesis. An understanding of the novel coronavirus genomic organization will help us in understanding their origi...
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A triangular framework with a terpyridine and shielded phenanthroline at its termini constitutes an open/close nanoswitch that is toggled by chemical inputs. In the presence of copper(I) ions, the open triangular framework (OPEN-I) firmly closes to a catalytically inactive heteroleptic [Cu(phen)(terpy)](+) complex (CLOSE). Reversible switching between CLOSE and OPEN-I states was demonstrated by...
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ژورنال
عنوان ژورنال: Journal of Inorganic Biochemistry
سال: 2007
ISSN: 0162-0134
DOI: 10.1016/j.jinorgbio.2006.08.013