SARS-CoV-2 Mpro: A Potential Target for Peptidomimetics and Small-Molecule Inhibitors

A Citarella, A Scala, A Piperno, N Micale - Biomolecules, 2021 - mdpi.com
The uncontrolled spread of the COVID-19 pandemic caused by the new coronavirus SARS-
CoV-2 during 2020–2021 is one of the most devastating events in the history, with …

Repurposing molnupiravir for COVID-19: the mechanisms of antiviral activity

AJW Yip, ZY Low, VTK Chow, SK Lal - Viruses, 2022 - mdpi.com
Molnupiravir is a β-d-N4-hydroxycytidine-5′-isopropyl ester (NHC) compound that exerts
antiviral activity against various RNA viruses such as influenza, SARS, and Ebola viruses …

Supervised Molecular Dynamics (SuMD) Insights into the mechanism of action of SARS-CoV-2 main protease inhibitor PF-07321332

M Pavan, G Bolcato, D Bassani… - Journal of Enzyme …, 2021 - Taylor & Francis
The chemical structure of PF-07321332, the first orally available Covid-19 clinical candidate,
has recently been revealed by Pfizer. No information has been provided about the …

QSPR Modeling with Topological Indices of Some Potential Drug Candidates against COVID‐19

Ö Çolakoğlu - Journal of Mathematics, 2022 - Wiley Online Library
COVID‐19, which has spread all over the world and was declared as a pandemic, is a new
disease caused by the coronavirus family. There is no medicine yet to prevent or end this …

Approaches to the potential therapy of COVID-19: a general overview from the medicinal chemistry perspective

JC Menéndez - Molecules, 2022 - mdpi.com
In spite of advances in vaccination, control of the COVID-19 pandemic will require the use of
pharmacological treatments against SARS-CoV2. Their development needs to consider the …

From the Wuhan-Hu-1 strain to the XD and XE variants: is targeting the SARS-CoV-2 spike protein still a pharmaceutically relevant option against COVID-19?

M Pavan, D Bassani, M Sturlese… - Journal of Enzyme …, 2022 - Taylor & Francis
Since the outbreak of the COVID-19 pandemic in December 2019, the SARS-CoV-2
genome has undergone several mutations. The emergence of such variants has resulted in …

Can Artemisia herba-alba Be Useful for Managing COVID-19 and Comorbidities?

A Hasan, P Biswas, TA Bondhon, K Jannat, TK Paul… - Molecules, 2022 - mdpi.com
The focus of this roadmap is to evaluate the possible efficacy of Artemisia herba-alba
Asso.(Asteraceae) for the treatment of COVID-19 and some of its symptoms and several …

Computational simulations identified marine-derived natural bioactive compounds as replication inhibitors of SARS-CoV-2

V Kumar, S Parate, S Yoon, G Lee… - Frontiers in microbiology, 2021 - frontiersin.org
The rapid spread of COVID-19, caused by the novel severe acute respiratory syndrome
coronavirus 2 (SARS-CoV-2), is a worldwide health emergency. Unfortunately, to date, a …

Lessons learnt from COVID-19: computational strategies for facing present and future pandemics

M Pavan, S Moro - International Journal of Molecular Sciences, 2023 - mdpi.com
Since its outbreak in December 2019, the COVID-19 pandemic has caused the death of
more than 6.5 million people around the world. The high transmissibility of its causative …

Modeling SARS-CoV-2 and influenza infections and antiviral treatments in human lung epithelial tissue equivalents

H Zarkoob, A Allué-Guardia, YC Chen… - Communications …, 2022 - nature.com
There is a critical need for physiologically relevant, robust, and ready-to-use in vitro cellular
assay platforms to rapidly model the infectivity of emerging viruses and develop new …