[HTML][HTML] Antiviral Effect of 5′-Arylchalcogeno-3-Aminothymidine Derivatives in SARS-CoV-2 Infection

AR Tucci, RM da Rosa, AS Rosa, O Augusto Chaves… - Molecules, 2023 - mdpi.com
The understanding that zidovudine (ZDV or azidothymidine, AZT) inhibits the RNA-
dependent RNA polymerase (RdRp) of SARS-CoV-2 and that chalcogen atoms can …

Pharmacokinetics and molecular docking studies of uridine derivatives as SARS-COV-2 Mpro inhibitors

J Maowa, MA Hosen, A Alam, KM Rana… - Physical Chemistry …, 2021 - physchemres.org
In this investigation, we have optimized uridine and its acylated derivatives employing
density functional theory (DFT). All designed derivatives were optimized at the B3LYP/3-21G …

In vitro inhibition and molecular docking of a new ciprofloxacin‐chalcone against SARS‐CoV‐2 main protease

R Alaaeldin, M Mustafa… - Fundamental & …, 2022 - Wiley Online Library
Abstract Background/Aim SARS‐CoV‐2 is one of the coronavirus families that emerged at
the end of 2019. It infected the respiratory system and caused a pandemic worldwide …

[HTML][HTML] Potential SARS-CoV-2 RdRp inhibitors of cytidine derivatives: Molecular docking, molecular dynamic simulations, ADMET, and POM analyses for the …

S MA Kawsar, MA Hosen, S Ahmad, Y El Bakri… - PLoS …, 2022 - journals.plos.org
The RNA-dependent RNA polymerase (RdRp) of SARS-CoV-2 is one of the optimum targets
for antiviral drug design and development. The hydroxyl groups of cytidine structures were …

[PDF][PDF] Thymidine derivatives as inhibitors against novel coronavirus (SARS-CoV-2) main protease: theoretical and computational investigations

SMA Kawsar, MA Hosen, A Alam, M Islam… - Adv. Chem …, 2021 - researchgate.net
SMAK planned the experiments and supervised; MAH performed computational
experiments; AA, MI, and JF conducted the synthetic work; SMAK and MAH interpreted the …

Identification of a pyridine derivative of diselenides as a potent inhibitor of the main protease of SARS-CoV-2 through in silico screening and biochemical evaluation

BG Singh, VV Gandhi, PP Phadnis… - New Journal of …, 2022 - pubs.rsc.org
Coronavirus induced disease-19 caused by SARS-CoV-2 has presented an unprecedented
health and economic crisis worldwide. Substantial progress has been made in the last two …

[PDF][PDF] Computer-aided evaluation of anti-SARS-CoV-2 (3-chymotrypsin-like protease and transmembrane protease serine 2 Inhibitors) activity of cepharanthine: an in …

D Jain, R Hossain, RA Khan, D Dey… - … Res. Appl. Chem, 2021 - researchgate.net
3-chymotrypsin-like protease (3CLPRO) is found in severe acute respiratory syndrome
coronavirus (SARS CoV)-2, and transmembrane protease serine 2 (TMPRSS-2) in humans …

Modified thymidine derivatives as potential inhibitors of SARS-CoV: PASS, in vitro antimicrobial, physicochemical and molecular docking studies

A Alam, KM Rana, MA Hosen, S Dey… - Physical Chemistry …, 2022 - physchemres.org
Thymidine and thymidine-mimicking derivatives were found promising against
microorganisms which may inhibit the growth of microorganisms providing effective …

[HTML][HTML] In silico study of alkaloids with quercetin nucleus for inhibition of SARS-CoV-2 protease and receptor cell protease

A Mohebbi, M Eskandarzadeh, H Zangi, M Fatehi - Plos one, 2024 - journals.plos.org
Covid-19 disease caused by the deadly SARS-CoV-2 virus is a serious and threatening
global health issue declared by the WHO as an epidemic. Researchers are studying the …

[HTML][HTML] Identification of pyrazole derivatives of usnic acid as novel inhibitor of SARS-CoV-2 main protease through virtual screening approaches

M Roney, G Singh, AKMM Huq, MS Forid… - Molecular …, 2024 - Springer
The infection produced by the SARS-CoV-2 virus remains a significant health crisis
worldwide. The lack of specific medications for COVID-19 necessitates a concerted effort to …