Identification of novel inhibitors for SARS-CoV-2 as therapeutic options using machine learning-based virtual screening, molecular docking and MD simulation
The new coronavirus SARS-COV-2, which emerged in late 2019 from Wuhan city of China
was regarded as causing agent of the COVID-19 pandemic. The primary protease which is …
was regarded as causing agent of the COVID-19 pandemic. The primary protease which is …
Screening of potent phytochemical inhibitors against SARS-CoV-2 protease and its two Asian mutants
I Muhammad, N Rahman, S Niaz, Z Basharat… - Computers in Biology …, 2021 - Elsevier
Background COVID-19, declared a pandemic in March 2020 by the World Health
Organization is caused by Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV …
Organization is caused by Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV …
Computational molecular docking and virtual screening revealed promising SARS-CoV-2 drugs
The pandemic of novel coronavirus disease 2019 (COVID-19) has rampaged the world, with
more than 58.4 million confirmed cases and over 1.38 million deaths across the world by 23 …
more than 58.4 million confirmed cases and over 1.38 million deaths across the world by 23 …
Virtual screening of anti-HIV1 compounds against SARS-CoV-2: machine learning modeling, chemoinformatics and molecular dynamics simulation based analysis
COVID-19 caused by the SARS-CoV-2 is a current global challenge and urgent discovery of
potential drugs to combat this pandemic is a need of the hour. 3-chymotrypsin-like cysteine …
potential drugs to combat this pandemic is a need of the hour. 3-chymotrypsin-like cysteine …
Discovering potent inhibitors against the Mpro of the SARS-CoV-2. A medicinal chemistry approach
The global pandemic caused by a single-stranded RNA (ssRNA) virus known as the severe
acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is still at its peak, with new cases …
acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is still at its peak, with new cases …
Targeting the 3CLpro and RdRp of SARS-CoV-2 with phytochemicals from medicinal plants of the Andean Region: molecular docking and molecular dynamics …
F Mosquera-Yuqui, N Lopez-Guerra… - Journal of …, 2022 - Taylor & Francis
Given the highly contagious nature of SARS-CoV-2, it has resulted in an unprecedented
number of COVID-19 infected and dead people worldwide. Since there is currently no …
number of COVID-19 infected and dead people worldwide. Since there is currently no …
Study on screening potential traditional Chinese medicines against 2019-nCoV based on Mpro and PLP
J Ma, XQ Huo, X Chen, WX Zhu, MC Yao… - Zhongguo Zhong yao …, 2020 - europepmc.org
With the rapid outbreak of COVID-19, traditional Chinese medicine (TCM) has been playing
an active role against the epidemic. However, the screening of TCM is limited by the …
an active role against the epidemic. However, the screening of TCM is limited by the …
Identification of lead compounds from large natural product library targeting 3C-like protease of SARS-CoV-2 using E-pharmacophore modelling, QSAR and …
COVID-19 is a novel disease caused by SARS-CoV-2 and has made a catastrophic impact
on the global economy. As it is, there is no officially FDA approved drug to alleviate the …
on the global economy. As it is, there is no officially FDA approved drug to alleviate the …
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 …
[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 …
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