In-silico evaluation of natural alkaloids against the main protease and spike glycoprotein as potential therapeutic agents for SARS-CoV-2

M Shah, R Yamin, I Ahmad, G Wu, Z Jahangir… - Plos one, 2024 - journals.plos.org
Severe Acute Respiratory Syndrome Corona Virus (SARS-CoV-2) is the causative agent of
COVID-19 pandemic, which has resulted in global fatalities since late December 2019 …

Molecular modeling of isolated phytochemicals from Ocimum sanctum towards exploring potential inhibitors of SARS coronavirus main protease and papain-like …

KK Varshney, M Varshney, B Nath - Available at SSRN 3554371, 2020 - papers.ssrn.com
Background: In December 2019, there was a cluster of pneumonia cases in China.
Investigations found that it was caused by a previously unknown virus, now named the 2019 …

Exploration of anti-HIV phytocompounds against SARS-CoV-2 main protease: Structure-based screening, molecular simulation, ADME analysis and conceptual DFT …

M Murali, HG Gowtham, N Shilpa, HKN Krishnappa… - Molecules, 2022 - mdpi.com
The ever-expanding pandemic severe acute respiratory syndrome coronavirus 2 (SARS-
CoV-2) infection has gained attention as COVID-19 and caused an emergency in public …

Recognition of natural products as potential inhibitors of COVID-19 main protease (Mpro): In-silico evidences

RR Narkhede, AV Pise, RS Cheke… - Natural products and …, 2020 - Springer
Abstract SARS-CoV-2 (2019-nCoV) emerged in 2019 and proliferated rapidly across the
globe. Scientists are attempting to investigate antivirals specific to COVID-19 treatment. 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 …

An integrated method for optimized identification of effective natural inhibitors against SARS-CoV-2 3CLpro

Q Liao, Z Chen, Y Tao, B Zhang, X Wu, L Yang… - Scientific Reports, 2021 - nature.com
The current severe situation of coronavirus disease 2019 (COVID-19) caused by severe
acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has not been reversed and posed …

Investigating Potential Inhibitory Effect of Uncaria tomentosa (Cat's Claw) against the Main Protease 3CLpro of SARS‐CoV‐2 by Molecular Modeling

AF Yepes-Pérez, O Herrera-Calderon… - Evidence‐Based …, 2020 - Wiley Online Library
COVID‐19 is a disease caused by severe acute respiratory syndrome coronavirus 2.
Presently, there is no effective treatment for COVID‐19. As part of the worldwide efforts to …

In silico screening of phytopolyphenolics for the identification of bioactive compounds as novel protease inhibitors effective against SARS-CoV-2

M Rudrapal, AR Issahaku, C Agoni… - Journal of …, 2022 - Taylor & Francis
Due to the unavailability specific drugs or vaccines (FDA approved) that can cure COVID-19,
the development of potent antiviral drug candidates/therapeutic molecules against COVID …

Identification of phytocompounds from Houttuynia cordata Thunb. as potential inhibitors for SARS-CoV-2 replication proteins through GC–MS/LC–MS characterization …

SK Das, S Mahanta, B Tanti, H Tag, PK Hui - Molecular Diversity, 2022 - Springer
The COVID-19 pandemic caused by Severe Acute Respiratory Syndrome Coronavirus 2
(SARS-CoV-2) is a massive viral disease outbreak of international concerns. The present …

Molecular Docking Studies on the Anti-viral Effects of Compounds From Kabasura Kudineer on SARS-CoV-2 3CLpro

S Vincent, S Arokiyaraj, M Saravanan… - Frontiers in molecular …, 2020 - frontiersin.org
The COVID-19 has now been declared a global pandemic by the World Health
Organization. No approved drug is currently available; therefore, an urgent need has been …