Identification of bioactive molecule from Withania somnifera (Ashwagandha) as SARS-CoV-2 main protease inhibitor

MK Tripathi, P Singh, S Sharma, TP Singh… - Journal of …, 2021 - Taylor & Francis
SARS-CoV-2 is the causative agent of COVID-19 and has been declared as pandemic
disease by World Health Organization. Lack of targeted therapeutics and vaccines for …

In silico screening and covalent binding of phytochemicals of Ocimum sanctum against SARS-CoV-2 (COVID 19) main protease

PK Mohapatra, KS Chopdar, GC Dash… - Journal of …, 2023 - Taylor & Francis
Abstract Coronavirus disease (COVID-19) caused by severe acute respiratory syndrome
coronavirus 2 (SARS-CoV-2) has compelled the scientific community to search for an …

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 …

[HTML][HTML] In silico and in vitro evaluation of kaempferol as a potential inhibitor of the SARS‐CoV‐2 main protease (3CLpro)

A Khan, W Heng, Y Wang, J Qiu, X Wei… - Phytotherapy …, 2021 - ncbi.nlm.nih.gov
To the Editor, The recent SARs-CoV-2 created focal news when the paradoxical spread was
reported in the Wuhan province of China, further jeopardizing the existence of the human …

[HTML][HTML] In-silico identification of potent inhibitors of COVID-19 main protease (Mpro) and angiotensin converting enzyme 2 (ACE2) from natural products: Quercetin …

S Omar, I Bouziane, Z Bouslama, A Djemel - 2020 - europepmc.org
COVID-19 is rapidly spreading and there are currently no specific clinical treatments
available. The absence of an immediate available vaccine against SARS-CoV-2 made it …

In Silico Study of Coumarins and Quinolines Derivatives as Potent Inhibitors of SARS-CoV-2 Main Protease

O Yañez, MI Osorio, E Uriarte, C Areche… - Frontiers in …, 2021 - frontiersin.org
The pandemic that started in Wuhan (China) in 2019 has caused a large number of deaths,
and infected people around the world due to the absence of effective therapy against …

Computational guided identification of a citrus flavonoid as potential inhibitor of SARS-CoV-2 main protease

N Gogoi, P Chowdhury, AK Goswami, A Das… - Molecular …, 2021 - Springer
Although vaccine development is being undertaken at a breakneck speed, there is currently
no effective antiviral drug for severe acute respiratory syndrome coronavirus 2 (SARS-CoV …

Anti-HIV-drug and phyto-flavonoid combination against SARS-CoV-2: a molecular docking-simulation base assessment

SS Swain, SR Singh, A Sahoo… - Journal of Biomolecular …, 2022 - Taylor & Francis
At the health emergence, no such potent prophylactic therapy is available to control the
deadly emerged Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2) …

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 …

Exploration of novel lichen compounds as inhibitors of SARS-CoV-2 Mpro: ligand-based design, molecular dynamics, and ADMET analyses

A Gupta, N Sahu, AP Singh, VK Singh… - Applied Biochemistry …, 2022 - Springer
Abstract In the year 2019–2020, the whole world witnessed the spread of a disease called
COVID-19 caused by SARS-CoV-2. A number of effective drugs and vaccine has been …