[HTML][HTML] Inhibition of the main protease of SARS-CoV-2 (Mpro) by repurposing/designing drug-like substances and utilizing nature's toolbox of bioactive compounds
I Antonopoulou, E Sapountzaki, U Rova… - Computational and …, 2022 - Elsevier
The emergence of the Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2)
has resulted in a long pandemic, with numerous cases and victims worldwide and enormous …
has resulted in a long pandemic, with numerous cases and victims worldwide and enormous …
Insights into amentoflavone: a natural multifunctional biflavonoid
X Xiong, N Tang, X Lai, J Zhang, W Wen, X Li… - Frontiers in …, 2021 - frontiersin.org
Amentoflavone is an active phenolic compound isolated from Selaginella tamariscina over
40 years. Amentoflavone has been extensively recorded as a molecule which displays …
40 years. Amentoflavone has been extensively recorded as a molecule which displays …
Targeting COVID-19 (SARS-CoV-2) main protease through active phytocompounds of ayurvedic medicinal plants–Emblica officinalis (Amla), Phyllanthus niruri Linn …
S Murugesan, S Kottekad, I Crasta… - Computers in biology …, 2021 - Elsevier
Abstract Coronavirus Disease-2019 (COVID-19), a viral disease caused by severe acute
respiratory syndrome coronavirus-2 (SARS-CoV-2) was declared a global pandemic by …
respiratory syndrome coronavirus-2 (SARS-CoV-2) was declared a global pandemic by …
[HTML][HTML] In silico studies on phytochemicals to combat the emerging COVID-19 infection
The current COVID-19 pandemic, caused by the severe acute respiratory syndrome
coronavirus-2 (SARS-CoV-2) and its variants, remains a serious health hazard globally. The …
coronavirus-2 (SARS-CoV-2) and its variants, remains a serious health hazard globally. The …
[HTML][HTML] An overview of potential inhibitors targeting non-structural proteins 3 (PLpro and Mac1) and 5 (3CLpro/Mpro) of SARS-CoV-2
F Yan, F Gao - Computational and structural biotechnology journal, 2021 - Elsevier
There is an urgent need to develop effective treatments for coronavirus disease 2019
(COVID-19), which is caused by severe acute respiratory syndrome coronavirus 2 (SARS …
(COVID-19), which is caused by severe acute respiratory syndrome coronavirus 2 (SARS …
Design, synthesis, and molecular dynamics simulation studies of quinoline derivatives as protease inhibitors against SARS-CoV-2
A new series of quinoline derivatives has been designed and synthesized as probable
protease inhibitors (PIs) against severe acute respiratory syndrome coronavirus 2. In silico …
protease inhibitors (PIs) against severe acute respiratory syndrome coronavirus 2. In silico …
Exploring conformation changes of Janus kinase 2 pseudokinase mediated by mutations through Gaussian accelerated molecular dynamics and principal component …
H Bao, W He, J Chen - Journal of Biomolecular Structure and …, 2024 - Taylor & Francis
The pseudokinase domain (JH2) of the protein tyrosine kinase (Janus kinase 2, JAK2)
regulates the activity of a tyrosine kinase domain (JH1) in JAK2, which is further affected by …
regulates the activity of a tyrosine kinase domain (JH1) in JAK2, which is further affected by …
The switch states of the GDP-bound HRAS affected by point mutations: A study from Gaussian accelerated molecular dynamics simulations and free energy …
H Bao, W Wang, H Sun, J Chen - Journal of Biomolecular Structure …, 2024 - Taylor & Francis
Point mutations play a vital role in the conformational transformation of HRAS. In this work,
Gaussian accelerated molecular dynamics (GaMD) simulations followed by constructions of …
Gaussian accelerated molecular dynamics (GaMD) simulations followed by constructions of …
Biological importance of a biflavonoid 'Bilobetin'in the medicine: medicinal importance, pharmacological activities and analytical aspects
DK Patel - Infectious Disorders-Drug TargetsDisorders), 2022 - benthamdirect.com
Background: Flavonoid class phytochemicals are natural compounds present in different
medicinal plants, vegetables and fruits. Ginkgo biloba contains significant amounts of …
medicinal plants, vegetables and fruits. Ginkgo biloba contains significant amounts of …
Neuroprotective potential of biflavone ginkgetin: a review
Neurological disorders are becoming more common, and there is an intense search for
molecules that can help treat them. Several natural components, especially those from the …
molecules that can help treat them. Several natural components, especially those from the …