Novel 2019 coronavirus structure, mechanism of action, antiviral drug promises and rule out against its treatment

S Boopathi, AB Poma, P Kolandaivel - Journal of Biomolecular …, 2021 - Taylor & Francis
In the past two decades, the world has faced several infectious disease outbreaks. Ebola,
Influenza A (H1N1), SARS, MERS, and Zika virus have had a massive global impact in terms …

Potential SARS-CoV-2 main protease inhibitors

R Banerjee, L Perera, LMV Tillekeratne - Drug Discovery Today, 2021 - Elsevier
Highlights•The SARS-CoV-2 main protease is a prime drug target.•Coronavirus main
proteases share a structurally conserved substrate-binding region.•The structure and …

Exploring the binding mechanism of PF-07321332 SARS-CoV-2 protease inhibitor through molecular dynamics and binding free energy simulations

B Ahmad, M Batool, Q Ain, MS Kim, S Choi - International journal of …, 2021 - mdpi.com
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 …

Epigallocatechin-3-gallate, an active ingredient of Traditional Chinese Medicines, inhibits the 3CLpro activity of SARS-CoV-2

A Du, R Zheng, C Disoma, S Li, Z Chen, S Li… - International journal of …, 2021 - Elsevier
SARS-CoV-2 is the etiological agent responsible for the ongoing pandemic of coronavirus
disease 2019 (COVID-19). The main protease of SARS-CoV-2, 3CLpro, is an attractive …

[PDF][PDF] Antivirals with common targets against highly pathogenic viruses

L Lu, S Su, H Yang, S Jiang - Cell, 2021 - cell.com
Historically, emerging viruses appear constantly and have cost millions of human lives.
Currently, climate change and intense globalization have created favorable conditions for …

Evaluation of acridinedione analogs as potential SARS-CoV-2 main protease inhibitors and their comparison with repurposed anti-viral drugs

VK Bhardwaj, R Singh, P Das, R Purohit - Computers in Biology and …, 2021 - Elsevier
Abstract Background The main protease (Mpro) of SARS-CoV-2 is involved in the
processing of vital polypeptides required for viral genome replication and transcription and …

What coronavirus 3C‐like protease tells us: from structure, substrate selectivity, to inhibitor design

M Xiong, H Su, W Zhao, H Xie… - Medicinal Research …, 2021 - Wiley Online Library
The emergence of a variety of coronaviruses (CoVs) in the last decades has posed huge
threats to human health. Especially, the ongoing pandemic of coronavirus disease 2019 …

A comprehensive review about the molecular structure of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2): Insights into natural products against …

EM Saied, YA El-Maradny, AA Osman, AMG Darwish… - Pharmaceutics, 2021 - mdpi.com
In 2019, the world suffered from the emergence of COVID-19 infection, one of the most
difficult pandemics in recent history. Millions of confirmed deaths from this pandemic have …

Anti-COVID-19 terpenoid from marine sources: A docking, admet and molecular dynamics study

N Sepay, A Sekar, UC Halder, A Alarifi… - Journal of molecular …, 2021 - Elsevier
Traditional medicines contain natural products (NPs) as main ingredient which always give
new direction and paths to develop new advanced medicines. In the COVID-19 pandemic …

[HTML][HTML] In silico investigation of potential inhibitors to main protease and spike protein of SARS-CoV-2 in propolis

AH Harisna, R Nurdiansyah, PH Syaifie… - … and Biophysics Reports, 2021 - Elsevier
Docking analysis of propolis's natural compound was successfully performed against SARS-
CoV-2 main protease (Mpro) and spike protein subunit 2 (S2). Initially, the propolis's protein …