Amentoflavone derivatives significantly act towards the main protease (3CLPRO/MPRO) of SARS-CoV-2: in silico admet profiling, molecular docking, molecular …
SARS-CoV-2 is the foremost culprit of the novel coronavirus disease 2019 (nCoV-19 and/or
simply COVID-19) and poses a threat to the continued life of humans on the planet and …
simply COVID-19) and poses a threat to the continued life of humans on the planet and …
Using molecular docking and molecular dynamics to investigate protein-ligand interactions
Molecular docking and molecular dynamics (MD) are powerful tools used to investigate
protein-ligand interactions. Molecular docking programs predict the binding pose and affinity …
protein-ligand interactions. Molecular docking programs predict the binding pose and affinity …
A molecular modeling approach to identify effective antiviral phytochemicals against the main protease of SARS-CoV-2
The main protease of SARS-CoV-2 is one of the important targets to design and develop
antiviral drugs. In this study, we have selected 40 antiviral phytochemicals to find out the …
antiviral drugs. In this study, we have selected 40 antiviral phytochemicals to find out the …
Putative inhibitors of SARS-CoV-2 main protease from a library of marine natural products: a virtual screening and molecular modeling study
The current emergency due to the worldwide spread of the COVID-19 caused by the new
severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a great concern for …
severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a great concern for …
A novel ACE2 isoform is expressed in human respiratory epithelia and is upregulated in response to interferons and RNA respiratory virus infection
Abstract Angiotensin-converting enzyme 2 (ACE2) is the main entry point in airway epithelial
cells for SARS-CoV-2. ACE2 binding to the SARS-CoV-2 protein spike triggers viral fusion …
cells for SARS-CoV-2. ACE2 binding to the SARS-CoV-2 protein spike triggers viral fusion …
[HTML][HTML] In silico prediction of potential inhibitors for the main protease of SARS-CoV-2 using molecular docking and dynamics simulation based drug-repurposing
Background The rapidly enlarging COVID-19 pandemic caused by the novel SARS-corona
virus-2 is a global public health emergency of an unprecedented level. Unfortunately no …
virus-2 is a global public health emergency of an unprecedented level. Unfortunately no …
[HTML][HTML] Inhibition of the SARS-CoV-2 3CLpro main protease by plant polyphenols
M Bahun, M Jukić, D Oblak, L Kranjc, G Bajc, M Butala… - Food chemistry, 2022 - Elsevier
The abundance of polyphenols in edible plants makes them an important component of
human nutrition. Considering the ongoing COVID-19 pandemic, a number of studies have …
human nutrition. Considering the ongoing COVID-19 pandemic, a number of studies have …
Crucial role and mechanism of transcription-coupled DNA repair in bacteria
BK Bharati, M Gowder, F Zheng, K Alzoubi, V Svetlov… - Nature, 2022 - nature.com
Transcription-coupled DNA repair (TCR) is presumed to be a minor sub-pathway of
nucleotide excision repair (NER) in bacteria. Global genomic repair is thought to perform the …
nucleotide excision repair (NER) in bacteria. Global genomic repair is thought to perform the …
Assessment of antiviral potencies of cannabinoids against SARS-CoV-2 using computational and in vitro approaches
V Raj, JG Park, KH Cho, P Choi, T Kim, J Ham… - International journal of …, 2021 - Elsevier
Effective treatment choices to the severe acute respiratory syndrome coronavirus-2 (SARS-
CoV-2) are limited because of the absence of effective target-based therapeutics. The main …
CoV-2) are limited because of the absence of effective target-based therapeutics. The main …
Efficacy of Phytochemicals Derived from Avicennia officinalis for the Management of COVID-19: A Combined In Silico and Biochemical Study
The recent coronavirus disease 2019 (COVID-19) pandemic is a global threat for healthcare
management and the economic system, and effective treatments against the pathogenic …
management and the economic system, and effective treatments against the pathogenic …