Pharmacophore based virtual screening, molecular docking, molecular dynamics and MM-GBSA approach for identification of prospective SARS-CoV-2 inhibitor from …
COVID-19 caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)
primarily appeared in Wuhan, China, in December 2019. At present, no proper therapy and …
primarily appeared in Wuhan, China, in December 2019. At present, no proper therapy and …
Using integrated computational approaches to identify safe and rapid treatment for SARS-CoV-2
K Al-Khafaji, D Al-Duhaidahawi… - Journal of Biomolecular …, 2021 - Taylor & Francis
SARS-CoV-2 is a new generation of coronavirus, which was first determined in Wuhan,
China, in December 2019. So far, however, there no effective treatment has been found to …
China, in December 2019. So far, however, there no effective treatment has been found to …
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 …
SARS-CoV-2 Mpro inhibitors: identification of anti-SARS-CoV-2 Mpro compounds from FDA approved drugs
Recent outbreak of COVID-19 pandemic caused by severe acute respiratory syndrome-
Coronavirus-2 (SARS-CoV-2) has raised serious global concern for public health. The viral …
Coronavirus-2 (SARS-CoV-2) has raised serious global concern for public health. The viral …
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 …
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 …
Targeting SARS-CoV-2 main protease: structure based virtual screening, in silico ADMET studies and molecular dynamics simulation for identification of potential …
A Uniyal, MK Mahapatra, V Tiwari… - Journal of …, 2022 - Taylor & Francis
COVID-19 pandemic has created a healthcare crisis across the world and has put human
life under life-threatening circumstances. The recent discovery of the crystallized structure of …
life under life-threatening circumstances. The recent discovery of the crystallized structure of …
Molecular docking and dynamics study of natural compound for potential inhibition of main protease of SARS-CoV-2
S Mahmud, MAR Uddin, M Zaman… - Journal of …, 2021 - Taylor & Francis
Newly emerged SARS-CoV-2 made recent pandemic situations across the globe is
accountable for countless unwanted death and insufferable panic associated with co …
accountable for countless unwanted death and insufferable panic associated with co …
Predictive modeling by deep learning, virtual screening and molecular dynamics study of natural compounds against SARS-CoV-2 main protease
The whole world is facing a great challenging time due to Coronavirus disease (COVID-19)
caused by SARS-CoV-2. Globally, more than 14.6 M people have been diagnosed and …
caused by SARS-CoV-2. Globally, more than 14.6 M people have been diagnosed and …
Identification of new anti-nCoV drug chemical compounds from Indian spices exploiting SARS-CoV-2 main protease as target
Abstract The 2019-novel coronavirus (nCoV) has caused a global health crisis by causing
coronavirus disease-19 (COVID-19) pandemic in the human population. The unavailability …
coronavirus disease-19 (COVID-19) pandemic in the human population. The unavailability …
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