[HTML][HTML] Exploring the binding mechanism of PF-07321332 SARS-CoV-2 protease inhibitor through molecular dynamics and binding free energy simulations
The novel coronavirus disease, caused by severe acute respiratory coronavirus 2 (SARS-
CoV-2), rapidly spreading around the world, poses a major threat to the global public health …
CoV-2), rapidly spreading around the world, poses a major threat to the global public health …
[HTML][HTML] Exploring the active constituents of Oroxylum indicum in intervention of novel coronavirus (COVID-19) based on molecular docking method
The severe acute respiratory syndrome COVID-19 declared a global pandemic by WHO has
become the present wellbeing worry to the whole world. There is an emergent need to …
become the present wellbeing worry to the whole world. There is an emergent need to …
Rutin and flavone analogs as prospective SARS-CoV-2 main protease inhibitors: In silico drug discovery study
MAA Ibrahim, EAR Mohamed… - Journal of Molecular …, 2021 - Elsevier
Abstract Coronavirus disease 2019 (COVID-19) is a new pandemic characterized by quick
spreading and illness of the respiratory system. To date, there is no specific therapy for …
spreading and illness of the respiratory system. To date, there is no specific therapy for …
Identification of phytochemical inhibitors against main protease of COVID-19 using molecular modeling approaches
Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) is a novel corona virus that
causes corona virus disease 2019 (COVID-19). The COVID-19 rapidly spread across the …
causes corona virus disease 2019 (COVID-19). The COVID-19 rapidly spread across the …
Anti-HCV and anti-malaria agent, potential candidates to repurpose for coronavirus infection: Virtual screening, molecular docking, and molecular dynamics simulation …
FS Hosseini, M Amanlou - Life sciences, 2020 - Elsevier
Abstract Aims Coronavirus disease 2019 (COVID-19) has appeared in Wuhan, China but
the fast transmission has led to its widespread prevalence in various countries, which has …
the fast transmission has led to its widespread prevalence in various countries, which has …
In silico ADMET and molecular docking study on searching potential inhibitors from limonoids and triterpenoids for COVID-19
Virtual screening of phytochemicals was performed through molecular docking, simulations,
in silico ADMET and drug-likeness prediction to identify the potential hits that can inhibit the …
in silico ADMET and drug-likeness prediction to identify the potential hits that can inhibit the …
[HTML][HTML] In Silico Screening of Semi-Synthesized Compounds as Potential Inhibitors for SARS-CoV-2 Papain-like Protease: Pharmacophoric Features, Molecular …
Papain-like protease is an essential enzyme in the proteolytic processing required for the
replication of SARS-CoV-2. Accordingly, such an enzyme is an important target for the …
replication of SARS-CoV-2. Accordingly, such an enzyme is an important target for the …
Virtual screening based on molecular docking of possible inhibitors of Covid-19 main protease
EM Marinho, JB de Andrade Neto, J Silva… - Microbial …, 2020 - Elsevier
Abstract Coronavirus (COVID-19) is an enveloped RNA virus that is diversely found in
humans and that has now been declared a global pandemic by the World Health …
humans and that has now been declared a global pandemic by the World Health …
[HTML][HTML] In Silico Studies of Some Isoflavonoids as Potential Candidates against COVID-19 Targeting Human ACE2 (hACE2) and Viral Main Protease (Mpro)
The Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) caused the “COVID-
19” disease that has been declared by WHO as a global emergency. The pandemic, which …
19” disease that has been declared by WHO as a global emergency. The pandemic, which …
Targeting COVID-19 (SARS-CoV-2) main protease through active phytochemicals of ayurvedic medicinal plants – Withania somnifera (Ashwagandha), Tinospora cordifolia …
Abstract COVID-19 (Coronavirus disease 2019) is a transmissible disease initiated and
propagated through a new virus strain SARS-CoV-2 (Severe Acute Respiratory Syndrome …
propagated through a new virus strain SARS-CoV-2 (Severe Acute Respiratory Syndrome …