Favipiravir: insight into the crystal structure, Hirshfeld surface analysis and computational study
MG Babashkina, A Frontera, AV Kertman… - Journal of the Iranian …, 2022 - Springer
In this work we report structural and computational studies of favipiravir, which is now used
as a drug for COVID-19 treatment. The molecule is completely flat and stabilized by an …
as a drug for COVID-19 treatment. The molecule is completely flat and stabilized by an …
Elucidating the Role of Noncovalent Interactions in Favipiravir, a Drug Active against Various Human RNA Viruses; a 1H-14N NQDR/Periodic DFT/QTAIM/RDS/3D …
Favipiravir (6-fluoro-3-hydroxypyrazine-2-carboxamide, FPV), an active pharmaceutical
component of the drug discovered and registered in March 2014 in Japan under the name …
component of the drug discovered and registered in March 2014 in Japan under the name …
New anti-viral drugs for the treatment of COVID-19 instead of favipiravir
The SARS-CoV-2 virus is a major problem in the world right now. Currently, all the attention
of research centers and governments globally are focused on the investigation of …
of research centers and governments globally are focused on the investigation of …
Novel polymorph of favipiravir—an antiviral medication
AS Goloveshkin, AA Korlyukov, AV Vologzhanina - Pharmaceutics, 2021 - mdpi.com
Various solid forms of pharmaceutically important compounds exhibit different physical
properties and bioactivity; thus, knowledge of the structural landscape and prediction of …
properties and bioactivity; thus, knowledge of the structural landscape and prediction of …
Combination of QSAR, molecular docking, molecular dynamic simulation and MM-PBSA: analogues of lopinavir and favipiravir as potential drug candidates against …
Pandemic COVID-19 infections have spread throughout the world. There is no effective
treatment against this disease. Viral RNA-dependent RNA polymerase (RdRp) catalyzes the …
treatment against this disease. Viral RNA-dependent RNA polymerase (RdRp) catalyzes the …
Tautomerism and Rotamerism of Favipiravir and Halogenated Analogues in Solution and in the Solid State
Favipiravir is an important selective antiviral against RNA-based viruses, and currently, it is
being repurposed as a potential drug for the treatment of COVID-19. This type of chemical …
being repurposed as a potential drug for the treatment of COVID-19. This type of chemical …
Pharmacophore Oriented MP2 Characterization of Charge Distribution for Anti-SARS-CoV-2 Inhibitor Nirmatrelvir
Quantum mechanical second order Møller–Plesset (MP2) perturbation theory and density
functional theory (DFT) Becke, 3-parameter, Lee-Yang-Parr (B3LYP) and Minnesota 2006 …
functional theory (DFT) Becke, 3-parameter, Lee-Yang-Parr (B3LYP) and Minnesota 2006 …
Viroinformatics approach to explore the inhibitory mechanism of existing drugs repurposed to fight against COVID-19
The rapid breakout of the coronavirus disease of 2019 (COVID-19) has been declared
pandemic with serious global concern due to high morbidity and mortality. As we enter the …
pandemic with serious global concern due to high morbidity and mortality. As we enter the …
SARS-CoV-2 Mpro binding profile and drug-likeness of two novel thiazole derivatives: structural elucidation, DFT studies, ADME-T and molecular docking simulations
L Tumakuru Nagarajappa, K Ravi Singh… - Journal of …, 2023 - Taylor & Francis
Two novel thiazole derivatives, ethyl 5-((4-fluorophenyl) carbamoyl)-thiazole-4-carboxylate
(2b) and ethyl 5-(p-tolylcarbamoyl) thiazole-4-carboxylate (6b) have been synthesized, and …
(2b) and ethyl 5-(p-tolylcarbamoyl) thiazole-4-carboxylate (6b) have been synthesized, and …
Interaction between favipiravir and hydroxychloroquine and their combined drug assessment: In silico investigations
Hydroxychloroquine (HCQ) and favipiravir (FPV) are known to be effective antivirals, and
there are reports about their use to fight the severe acute respiratory syndrome coronavirus …
there are reports about their use to fight the severe acute respiratory syndrome coronavirus …