Unraveling the mechanism of arbidol binding and inhibition of SARS-CoV-2: Insights from atomistic simulations
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DOI: 10.1016/j.ejphar.2020.173836
Abstract: The COVID-19 pandemic has spread rapidly and posed an unprecedented threat to the global economy and human health. Broad-spectrum antivirals are currently being administered to treat severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). China's prevention… read more here.
Keywords: rbd ace2; inhibition; arbidol; sars cov ... See more keywords
Computational Analysis of the SARS-CoV-2 RBD–ACE2-Binding Process Based on MD and the 3D-RISM Theory
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DOI: 10.1021/acs.jcim.2c00192
Abstract: The binding process of angiotensin-converting enzyme 2 (ACE2) to the receptor-binding domain (RBD) of the severe acute respiratory syndrome-like coronavirus 2 spike protein was investigated using molecular dynamics simulation and the three-dimensional reference interaction-site model… read more here.
Keywords: computational analysis; rbd ace2; binding process; process ... See more keywords
Mulberry Component Kuwanon C Exerts Potent Therapeutic Efficacy In Vitro against COVID-19 by Blocking the SARS-CoV-2 Spike S1 RBD:ACE2 Receptor Interaction
Sign Up to like & getrecommendations! Published in 2022 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms232012516
Abstract: There has been an immense effort by global pharmaceutical companies to develop anti-COVID-19 drugs, including small molecule-based RNA replication inhibitors via drug repositioning and antibody-based spike protein blockers related to cell entry by SARS-CoV-2. However,… read more here.
Keywords: interaction; ace2 receptor; covid; rbd ace2 ... See more keywords
The Development of Pharmacophore Models for the Search of New Natural Inhibitors of SARS-CoV-2 Spike RBD–ACE2 Binding Interface
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DOI: 10.3390/molecules27248938
Abstract: To date, some succeeding variants of SARS-CoV-2 have become more contagious. This virus is known to enter human cells by binding the receptor-binding domain (RBD) of spike protein with the angiotensin-converting enzyme 2 (ACE2), the… read more here.
Keywords: rbd ace2; sars cov; pharmacophore models;
Understanding the Driving Forces That Trigger Mutations in SARS-CoV-2: Mutational Energetics and the Role of Arginine Blockers in COVID-19 Therapy
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DOI: 10.3390/v14051029
Abstract: SARS-CoV-2 is a global challenge due to its ability to mutate into variants that spread more rapidly than the wild-type virus. Because the molecular biology of this virus has been studied in such great detail,… read more here.
Keywords: arginine blockers; rbd ace2; driving forces; sars cov ... See more keywords
Molecular Epidemiology of SARS-CoV-2: The Dominant Role of Arginine in Mutations and Infectivity
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DOI: 10.3390/v15020309
Abstract: Background, Aims, Methods, Results, Conclusions: Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a global challenge due to its ability to mutate into variants that spread more rapidly than the wild-type virus. The molecular biology… read more here.
Keywords: arginine; rbd ace2; epidemiology; sars cov ... See more keywords
A Competitive Panning Method Reveals an Anti-SARS-CoV-2 Nanobody Specific for an RBD-ACE2 Binding Site
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DOI: 10.3390/vaccines11020371
Abstract: Most neutralizing antibodies neutralize the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) by directly blocking the interactions between the spike glycoprotein receptor-binding domain (RBD) and its receptor, human angiotensin-converting enzyme 2 (ACE2). Here, we report… read more here.
Keywords: rbd; rbd ace2; panning method; competitive panning ... See more keywords