[HTML][HTML] Essential oils as an effective alternative for the treatment of COVID-19: Molecular interaction analysis of protease (Mpro) with pharmacokinetics and …

S Panikar, G Shoba, M Arun, JJ Sahayarayan… - Journal of Infection and …, 2021 - Elsevier
Background The current health concern to the entire world is the chronic respiratory disease
caused by coronavirus 2 (COVID-19). A specific treatment or proper therapy is still lacking …

In Silico Exploration of the Molecular Mechanism of Clinically Oriented Drugs for Possibly Inhibiting SARS-CoV-2's Main Protease

T Huynh, H Wang, B Luan - The Journal of Physical Chemistry …, 2020 - ACS Publications
Currently, the new coronavirus disease 2019 (COVID-19) is a global pandemic without any
well-calibrated treatment. To inactivate the SARS-CoV-2 virus that causes COVID-19, the …

Multi-step in silico discovery of natural drugs against COVID-19 targeting main protease

EB Elkaeed, FS Youssef, IH Eissa, H Elkady… - International Journal of …, 2022 - mdpi.com
In continuation of our antecedent work against COVID-19, three natural compounds, namely,
Luteoside C (130), Kahalalide E (184), and Streptovaricin B (278) were determined as the …

In silico virtual screening, characterization, docking and molecular dynamics studies of crucial SARS-CoV-2 proteins

M Alazmi, O Motwalli - Journal of Biomolecular Structure and …, 2021 - Taylor & Francis
The ongoing pandemic COVID-19 (COrona Virus Immuno Deficiency-2019) which is caused
by SARS-CoV-2 (Severe Acute Respiratory Syndrome–CoronaVirus-2) has emerged as a …

Amentoflavone derivatives significantly act towards the main protease (3CLPRO/MPRO) of SARS-CoV-2: in silico admet profiling, molecular docking, molecular …

D Dey, R Hossain, P Biswas, P Paul, MA Islam… - Molecular …, 2023 - Springer
SARS-CoV-2 is the foremost culprit of the novel coronavirus disease 2019 (nCoV-19 and/or
simply COVID-19) and poses a threat to the continued life of humans on the planet and …

In silico investigation of saponins and tannins as potential inhibitors of SARS-CoV-2 main protease (Mpro)

VA Falade, TI Adelusi, IO Adedotun… - In Silico …, 2021 - Springer
It is no longer news that a novel strain of coronavirus named SARS-CoV-2 is ravaging the
health sector worldwide, several attempts have been made to curtail this pandemic via …

Determination of potential inhibitors based on isatin derivatives against SARS-CoV-2 main protease (mpro): a molecular docking, molecular dynamics and structure …

VN Badavath, A Kumar, PK Samanta… - Journal of …, 2022 - Taylor & Francis
Abstract SARS-COV-2, the novel coronavirus and root of global pandemic COVID-19
caused a severe health threat throughout the world. Lack of specific treatments raised an …

A molecular docking study of SARS-CoV-2 main protease against phytochemicals of Boerhavia diffusa Linn. for novel COVID-19 drug discovery

U Rutwick Surya, N Praveen - VirusDisease, 2021 - Springer
Abstract SARS-CoV-2, the causative virus of the Corona virus disease that was first recorded
in 2019 (COVID-19), has already affected over 110 million people across the world with no …

Pharmacophore based virtual screening, molecular docking, molecular dynamics and MM-GBSA approach for identification of prospective SARS-CoV-2 inhibitor from …

BK Kumar, n Faheem, KVGC Sekhar… - Journal of …, 2022 - Taylor & Francis
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 …

Potential anti-viral activity of approved repurposed drug against main protease of SARS-CoV-2: an in silico based approach

S Mahanta, P Chowdhury, N Gogoi… - Journal of …, 2021 - Taylor & Francis
Abstract The Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) which was
first reported in Wuhan province of China, has become a deadly pandemic causing …