The broad-spectrum antiviral recommendations for drug discovery against COVID-19

A Hazafa, K Ur-Rahman, I Haq, N Jahan… - Drug metabolism …, 2020 - Taylor & Francis
Despite to outbreaks of highly pathogenic beta and alpha coronaviruses including severe
acute respiratory syndrome coronavirus (SARS-CoV), Middle East respiratory syndrome …

Chemical system biology approach to identify multi-targeting FDA inhibitors for treating COVID-19 and associated health complications

B Naik, VSK Mattaparthi, N Gupta, R Ojha… - Journal of …, 2022 - Taylor & Francis
In view of many European countries and the USA leading to the second wave of COVID-19
pandemic, winter season, the evolution of new mutations in the spike protein, and no …

Detailed molecular interactions of favipiravir with SARS-CoV-2, SARS-CoV, MERS-CoV, and influenza virus polymerases in silico

M Sada, T Saraya, H Ishii, K Okayama, Y Hayashi… - Microorganisms, 2020 - mdpi.com
Favipiravir was initially developed as an antiviral drug against influenza and is currently
used in clinical trials against severe acute respiratory syndrome coronavirus-2 (SARS-CoV …

In silico investigation of nanocarbon biosensors for diagnosis of COVID-19

K Harismah, M Mirzaei, M Da'i… - Eurasian Chemical …, 2021 - eprints.mui.ac.ir
In this work, advantages of applications of nanocarbon materials were investigated for
diagnosis purpose of coronavirus disease 2019 (COVID-19). To do so, interactions of four …

Exploration of inhibitory action of Azo imidazole derivatives against COVID-19 main protease (Mpro): A computational study

A Chhetri, S Chettri, P Rai, B Sinha… - Journal of molecular …, 2021 - Elsevier
Four novel ionic liquid tagged azo-azomethine derivatives (L1-L4) have been prepared by
the condensation reaction of azo-coupled ortho-vaniline precursor with amino functionalised …

Molecular analysis of 5-COR derivatives of uracil and evaluating their affinity against the MPro target of COVID-19

Y Ashjaee, H Zandi - Advanced Journal of Science and Engineering, 2021 - sciengpub.ir
Molecular analysis of 5-COR (R: H, CH 3, NH 2, OH, F, Cl, Br, I) functionalized derivatives of
uracil (U) were explored in this work using computational procedures. Next, binding affinity …

A dispersion-corrected DFT calculation on encapsulation of favipiravir drug used as antiviral against COVID-19 into carbon-, boron-, and aluminum-nitride nanotubes …

R Albarakati, O Al-Qurashi, Z Safi, N Wazzan - Structural Chemistry, 2024 - Springer
Abstract Favipiravir (FAV)(6-fluoro-3-oxo-3, 4-dihydropyrazine-2-carboxamide) is one of the
most effective antiviral drugs which is cited for action against RNA-viral infections of COVID …

Investigation of substituent effects on the electronic structure and antiviral activity of favipiravir derivatives for Covid-19 treatment using DFT and molecular docking

DF Tegegn, HZ Belachew, HF Etefa, AO Salau - Scientific Reports, 2024 - nature.com
In this study, Density-functional theory/Time-dependent density-functional theory
(DFT/TDDFT) and Molecular docking method was used to investigate the effect of methyl …

[PDF][PDF] COVID-19: A serious warning for emergency health innovation

K Harismah, M Mirzaei - Advanced Journal of Science and …, 2020 - researchgate.net
COronaVIrus Disease 2019 (COVID-19), has been first recognized in China in late 2019 but
it has been very soon spread all over the world as a global pandemic crisis. 1 From …

Theoretical insights into the effect of halogenated substituent on the electronic structure and spectroscopic properties of the favipiravir tautomeric forms and its …

LC Assis, AA de Castro, JPA de Jesus, EFF da Cunha… - Rsc Advances, 2021 - pubs.rsc.org
In this study, we systematically investigated the electronic structure, spectroscopic (nuclear
magnetic resonance, infrared, Raman, electron ionization mass spectrometry, UV-Vis …