[HTML][HTML] The anti-SARS-CoV-2 activity of novel 9, 10-dihydrophenanthrene derivatives: an insight into molecular docking, ADMET analysis, and molecular dynamics …
Originating in Wuhan, the COVID-19 pandemic wave has had a profound impact on the
global healthcare system. In this study, we used a 2D QSAR technique, ADMET analysis …
global healthcare system. In this study, we used a 2D QSAR technique, ADMET analysis …
[HTML][HTML] Virtual screening and molecular dynamics simulation analysis of Forsythoside A as a plant-derived inhibitor of SARS-CoV-2 3CLpro
Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) is a more severe strain of
coronavirus (CoV) that was first emerged in China in 2019. Available antiviral drugs could …
coronavirus (CoV) that was first emerged in China in 2019. Available antiviral drugs could …
Understanding the binding affinity of noscapines with protease of SARS-CoV-2 for COVID-19 using MD simulations at different temperatures
The current outbreak of a novel coronavirus, named as SARS-CoV-2 causing COVID-19
occurred in 2019, is in dire need of finding potential therapeutic agents. Recently, ongoing …
occurred in 2019, is in dire need of finding potential therapeutic agents. Recently, ongoing …
Repurposing approved drugs as inhibitors of SARS-CoV-2 S-protein from molecular modeling and virtual screening
Herein, molecular modeling techniques were used with the main goal to obtain candidates
from a drug database as potential targets to be used against SARS-CoV-2. This novel …
from a drug database as potential targets to be used against SARS-CoV-2. This novel …
Identifying the natural polyphenol catechin as a multi-targeted agent against SARS-CoV-2 for the plausible therapy of COVID-19: an integrated computational …
The global pandemic crisis, coronavirus disease 2019 (COVID-19), caused by the severe
acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has claimed the lives of millions of …
acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has claimed the lives of millions of …
[HTML][HTML] Calendulaglycoside A showing potential activity against SARS-CoV-2 main protease: Molecular docking, molecular dynamics, and SAR studies
Background and aim The discovery of drugs capable of inhibiting SARS-CoV-2 is a priority
for human beings due to the severity of the global health pandemic caused by COVID-19. To …
for human beings due to the severity of the global health pandemic caused by COVID-19. To …
Molecular dynamics simulation approach for discovering potential inhibitors against SARS-CoV-2: A structural review
S Ghahremanian, MM Rashidi, K Raeisi… - Journal of molecular …, 2022 - Elsevier
Since the commencement of the novel Coronavirus, the disease has quickly turned into a
worldwide crisis so that there has been growing attention in discovering possible hit …
worldwide crisis so that there has been growing attention in discovering possible hit …
Virtual screening, ADMET prediction and dynamics simulation of potential compounds targeting the main protease of SARS-CoV-2
The coronavirus disease-2019 caused by a novel SARS CoV-2 virus has emerged as a
global threat. Still, no drugs are available for its treatment. The main protease is the most …
global threat. Still, no drugs are available for its treatment. The main protease is the most …
Promising antiviral activities of natural flavonoids against SARS-CoV-2 targets: systematic review
The ongoing COVID-19 pandemic, caused by the severe acute respiratory syndrome
coronavirus 2 (SARS-CoV-2) became a globally leading public health concern over the past …
coronavirus 2 (SARS-CoV-2) became a globally leading public health concern over the past …
In Silico Screening of Potential Chinese Herbal Medicine Against COVID-19 by Targeting SARS-CoV-2 3CLpro and Angiotensin Converting Enzyme II Using …
L Gao, J Xu, S Chen - Chinese journal of integrative medicine, 2020 - Springer
Abstract Objective To seek potential Chinese herbal medicine (CHM) for the treatment of
coronavirus disease 2019 (COVID-19) through the molecular docking of the medicine with …
coronavirus disease 2019 (COVID-19) through the molecular docking of the medicine with …