Natural compounds as inhibitors of SARS-CoV-2 main protease (3CLpro): A molecular docking and simulation approach to combat COVID-19
Background: The emergence and dissemination of SARS-CoV-2 has caused high mortality
and enormous economic loss. Rapid development of new drug molecules is the need of …
and enormous economic loss. Rapid development of new drug molecules is the need of …
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 …
[HTML][HTML] Molecular docking, binding mode analysis, molecular dynamics, and prediction of ADMET/toxicity properties of selective potential antiviral agents against …
The importance of the main protease (M pro) enzyme of SARS-CoV-2 in the digestion of viral
polyproteins introduces M pro as an attractive drug target for antiviral drug design. This study …
polyproteins introduces M pro as an attractive drug target for antiviral drug design. This study …
Promising inhibitors of main protease of novel corona virus to prevent the spread of COVID-19 using docking and molecular dynamics simulation
Abstract Coronavirus disease-2019 (COVID-19) is a global health emergency and the matter
of serious concern, which has been declared a pandemic by WHO. Till date, no potential …
of serious concern, which has been declared a pandemic by WHO. Till date, no potential …
In silico identification of potent COVID-19 main protease inhibitors from FDA approved antiviral compounds and active phytochemicals through molecular docking: a …
The Novel Coronavirus (COVID-19) is a positive-sense single-stranded RNA ((+) ssRNA)
virus. The COVID-19 Main Proteases play very important role in the propagation of the Novel …
virus. The COVID-19 Main Proteases play very important role in the propagation of the Novel …
Potential of Plant Bioactive Compounds as SARS‐CoV‐2 Main Protease (Mpro) and Spike (S) Glycoprotein Inhibitors: A Molecular Docking Study
Since the outbreak of the COVID‐19 (coronavirus disease 19) pandemic, researchers have
been trying to investigate several active compounds found in plants that have the potential to …
been trying to investigate several active compounds found in plants that have the potential to …
[HTML][HTML] In silico evaluation of flavonoids as effective antiviral agents on the spike glycoprotein of SARS-CoV-2
The novel coronavirus pandemic has spread over in 213 countries as of July 2020.
Approximately 12 million people have been infected so far according to the reports from …
Approximately 12 million people have been infected so far according to the reports from …
[HTML][HTML] Several coumarin derivatives and their Pd (II) complexes as potential inhibitors of the main protease of SARS-CoV-2, an in silico approach
The global pandemic of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2)
caused many fatalities among people and significantly influenced the global economy …
caused many fatalities among people and significantly influenced the global economy …
Dietary polyphenols mitigate SARS-CoV-2 main protease (Mpro)–Molecular dynamics, molecular mechanics, and density functional theory investigations
TI Adelusi, AQK Oyedele, OE Monday… - Journal of Molecular …, 2022 - Elsevier
The recent evolution of the SARS-like Coronavirus has ravaged the world. The deadly virus
has claimed over millions of lives across the world and hence highlights the need to develop …
has claimed over millions of lives across the world and hence highlights the need to develop …
[HTML][HTML] In silico evaluation of Iranian medicinal plant phytoconstituents as inhibitors against main protease and the receptor-binding domain of SARS-CoV-2
The novel coronavirus disease 2019 (COVID-19) is caused by the severe acute respiratory
syndrome coronavirus 2 (SARS-CoV-2), which initially appeared in Wuhan, China, in …
syndrome coronavirus 2 (SARS-CoV-2), which initially appeared in Wuhan, China, in …