Molecular Docking Studies of Boron‐Containing Compounds as Dual Inhibitors of SARS‐Cov‐2 Spike Receptor Binding Domain/ACE2 Complex and Main Protease …

S Ercan, M Pir - ChemistrySelect, 2023 - Wiley Online Library
The severe acute respiratory syndrome SARS‐CoV‐2 is the causative agent of COVID‐19.
Preventing binding of SARS‐CoV‐2 Spike glycoprotein to human ACE2 enzyme and …

Ozanimod and Prazosin as Inhibitor of bonding SARS‐CoV‐2 spike protein and the ACE2 enzyme: Molecular Dynamics and Molecular Docking Study of Potential …

M Hosseinzadeh, R Shidpour, M Rajabi - Advanced Theory and … - Wiley Online Library
To develop the drugs as a second line of preventing a serious form of illness, blocking the
interaction between a receptor‐binding domain (RBD) in the SARS‐CoV‐2 S‐protein (spike …

[PDF][PDF] In silico Molecular Docking of SARS-CoV-2 Surface Proteins with Benzimidazole Scaffolds: Strategy to Discover Lead Compounds

M Meghani, S Sharma, N Kumar, BM Sahoo - researchgate.net
Background: The severe acute respiratory illness that was brought on because of the
outbreak of COVID-19 caused by the SARS-CoV-2 infection has been designated as a …

Structure-based Virtual Screening from Natural Products as Inhibitors of SARS-CoV-2 Spike Protein and ACE2 Receptor Binding and their Biological Evaluation In …

T Delgado-Maldonado… - Medicinal …, 2024 - ingentaconnect.com
Background: In the last years, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-
2) caused more than 760 million infections and 6.9 million deaths. Currently, remains a …

ABBV-744 as a potential inhibitor of SARS-CoV-2 main protease enzyme against COVID-19

Z Fakhar, S Khan, SY AlOmar, A Alkhuriji, A Ahmad - Scientific Reports, 2021 - nature.com
A new pathogen severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has
spread worldwide and become pandemic with thousands new deaths and infected cases …

Theoretical Evaluation of Bortezomib and Other Boron-Containing Compounds as Inhibitors of SARS-CoV-2 Main Protease

IRV Valdez, JM Santiago-Quintana, M ROSALEZ… - 2020 - chemrxiv.org
The aim of the present docking study was to explore the putative role of boronic moieties in
molecules interacting on the binding site of the SARS-CoV-2 main protease. The …

Inhibitory mechanism of Ambroxol and Bromhexine Hydrochlorides as potent blockers of molecular interaction between SARS-CoV-2 spike protein and human …

IA Kehinde, A Egbejimi, M Kaur, C Onyenaka… - Journal of Molecular …, 2022 - Elsevier
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infects the host cells
through interaction of its spike protein with human angiotensin-converting enzyme 2 (hACE …

In silico Screening of Natural Compounds as Potential Inhibitors of SARS-CoV-2 Main Protease and Spike RBD: Targets for COVID-19

DM Teli, MB Shah, MT Chhabria - Frontiers in molecular biosciences, 2021 - frontiersin.org
Historically, plants have been sought after as bio-factories for the production of diverse
chemical compounds that offer a multitude of possibilities to cure diseases. To combat the …

Ligand-and Structure-Based Virtual Screening Identifies New Inhibitors of the Interaction of the SARS-CoV-2 Spike Protein with the ACE2 Host Receptor

T Delgado-Maldonado, A González-González… - Pharmaceutics, 2024 - mdpi.com
The Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) is a fast-spreading
viral pathogen and poses a serious threat to human health. New SARS-CoV-2 variants have …

Activity of Isoxazole substituted 9-aminoacridines against SARS CoV-2 main protease for COVID19: A computational approach

R Kalirajan, B Gowramma, S Gomathi… - Jordan Journal of …, 2021 - archives.ju.edu.jo
Abstract Coronavirus Disease 2019 (COVID-19), a life-threatening viral disease affected first
in china and quickly spread throughout the world in early 2020. So many scientists are …