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 …

[HTML][HTML] Middle East respiratory syndrome coronavirus (MERS-CoV): A review

N Ramadan, H Shaib - Germs, 2019 - ncbi.nlm.nih.gov
As a novel coronavirus first reported by Saudi Arabia in 2012, the Middle East respiratory
syndrome coronavirus (MERS-CoV) is responsible for an acute human respiratory …

Discovery of New Hydroxyethylamine Analogs against 3CLpro Protein Target of SARS-CoV-2: Molecular Docking, Molecular Dynamics Simulation, and Structure …

S Kumar, PP Sharma, U Shankar… - Journal of Chemical …, 2020 - ACS Publications
The novel coronavirus, SARS-CoV-2, has caused a recent pandemic called COVID-19 and
a severe health threat around the world. In the current situation, the virus is rapidly …

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 …

AI-aided design of novel targeted covalent inhibitors against SARS-CoV-2

B Tang, F He, D Liu, F He, T Wu, M Fang, Z Niu, Z Wu… - Biomolecules, 2022 - mdpi.com
The drug repurposing of known approved drugs (eg, lopinavir/ritonavir) has failed to treat
SARS-CoV-2-infected patients. Therefore, it is important to generate new chemical entities …

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 …

Structural basis of the main proteases of coronavirus bound to drug candidate PF-07321332

J Li, C Lin, X Zhou, F Zhong, P Zeng, Y Yang… - Journal of …, 2022 - Am Soc Microbiol
The high mutation rate of COVID-19 and the prevalence of multiple variants strongly support
the need for pharmacological options to complement vaccine strategies. One region that …

Cell host response to infection with novel human coronavirus EMC predicts potential antivirals and important differences with SARS coronavirus

L Josset, VD Menachery, LE Gralinski, S Agnihothram… - MBio, 2013 - Am Soc Microbiol
ABSTRACT A novel human coronavirus (HCoV-EMC) was recently identified in the Middle
East as the causative agent of a severe acute respiratory syndrome (SARS) resembling the …

Computational insights into tetracyclines as inhibitors against SARS-CoV-2 Mpro via combinatorial molecular simulation calculations

S Bharadwaj, KE Lee, VD Dwivedi, SG Kang - Life Sciences, 2020 - Elsevier
The COVID-19 pandemic raised by SARS-CoV-2 is a public health emergency. However,
lack of antiviral drugs and vaccine against human coronaviruses demands a concerted …

Antitarget, anti-SARS-CoV-2 leads, drugs, and the drug discovery–genetics alliance perspective

C Pozzi, A Vanet, V Francesconi… - Journal of Medicinal …, 2023 - ACS Publications
The most advanced antiviral molecules addressing major SARS-CoV-2 targets (Main
protease, Spike protein, and RNA polymerase), compared with proteins of other human …