Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
Targeting neurological manifestations of coronaviruses by candidate phytochemicals: a mechanistic approach
The novel coronavirus 2019 (COVID-19) caused by severe acute respiratory syndrome
coronavirus 2 (SARS-CoV-2) has made a wide range of manifestations. In this regard …
coronavirus 2 (SARS-CoV-2) has made a wide range of manifestations. In this regard …
[HTML][HTML] Computational study of the therapeutic potentials of a new series of imidazole derivatives against SARS-CoV-2
Owing to the urgent need for therapeutic interventions against the SARS-coronavirus 2
(SARS-CoV-2) pandemic, we employed an in silico approach to evaluate the SARS-CoV-2 …
(SARS-CoV-2) pandemic, we employed an in silico approach to evaluate the SARS-CoV-2 …
'Poly phenolic phytoceutical loaded nano-bilosomes for enhanced caco-2 cell permeability and SARS-CoV 2 antiviral activity': in-vitro and insilico studies
Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) predisposed to the
emergence of worldwide catastrophe that impels the evolution of safe and effective …
emergence of worldwide catastrophe that impels the evolution of safe and effective …
In silico Studies on the Interaction between Mpro and PLpro From SARS‐CoV‐2 and Ebselen, its Metabolites and Derivatives
The COVID‐19 pandemic caused by the SARS‐CoV‐2 has mobilized scientific attention in
search of a treatment. The cysteine‐proteases, main protease (Mpro) and papain‐like …
search of a treatment. The cysteine‐proteases, main protease (Mpro) and papain‐like …
Computational guided identification of potential leads from Acacia pennata (L.) Willd. as inhibitors for cellular entry and viral replication of SARS-CoV-2
Abstract Background Coronavirus disease 2019 (COVID-19) caused by severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2) started in 2019 and is still an on-going …
respiratory syndrome coronavirus 2 (SARS-CoV-2) started in 2019 and is still an on-going …
[HTML][HTML] Molecular modelling studies unveil potential binding sites on human serum albumin for selected experimental and in silico COVID-19 drug candidate …
Human serum albumin (HSA) is the most prevalent protein in the blood plasma which binds
an array of exogenous compounds. Drug binding to HSA is an important consideration when …
an array of exogenous compounds. Drug binding to HSA is an important consideration when …
In silico screening of novel TMPRSS2 inhibitors for treatment of COVID-19
S Wang, X Fang, Y Wang - Molecules, 2022 - mdpi.com
COVID-19, a pandemic caused by the virus SARS-CoV-2, has spread globally, necessitating
the search for antiviral compounds. Transmembrane protease serine 2 (TMPRSS2) is a cell …
the search for antiviral compounds. Transmembrane protease serine 2 (TMPRSS2) is a cell …
[HTML][HTML] Ayurvedic formulations: Potential COVID-19 therapeutics?
Abstract Background: While Molnupiravir and Paxlovid have recently been approved for use
in some countries, there are no widely available treatments for COVID-19, the disease …
in some countries, there are no widely available treatments for COVID-19, the disease …
Computational Repurposing of Drugs and Natural Products Against SARS-CoV-2 Main Protease (Mpro) as Potential COVID-19 Therapies
We urgently need to identify drugs to treat patients suffering from COVID-19 infection. Drugs
rarely act at single molecular targets. Off-target effects are responsible for undesirable side …
rarely act at single molecular targets. Off-target effects are responsible for undesirable side …