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Mitigating the impacts of the COVID-19 pandemic on crop farming: a nanotechnological approach
COVID-19 is a highly infectious respiratory disease that resulted in a global pandemic that
has affected every stage and sector of life. Although it is mainly seen as a health issue, its …
has affected every stage and sector of life. Although it is mainly seen as a health issue, its …
Novel α-aminophosphonate derivates synthesis, theoretical calculation, Molecular docking, and in silico prediction of potential inhibition of SARS-CoV-2
Abstract Using the Density Functional Theory approach and in silico docking, the current
study analyzes the inhibitory role of a novel α-aminophosphonate derivative against SARS …
study analyzes the inhibitory role of a novel α-aminophosphonate derivative against SARS …
Chemical system biology approach to identify multi-targeting FDA inhibitors for treating COVID-19 and associated health complications
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 …
pandemic, winter season, the evolution of new mutations in the spike protein, and no …
In silico investigation of nanocarbon biosensors for diagnosis of COVID-19
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 …
diagnosis purpose of coronavirus disease 2019 (COVID-19). To do so, interactions of four …
Molecular analysis of 5-COR derivatives of uracil and evaluating their affinity against the MPro target of COVID-19
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 …
uracil (U) were explored in this work using computational procedures. Next, binding affinity …
[HTML][HTML] Computational design of medicinal compounds to inhibit RBD-hACE2 interaction in the Omicron variant: Unveiling a vulnerable target site
The COVID-19 pandemic, caused by SARS-CoV-2, has globally affected both human health
and economy. Several variants with a high potential for reinfection and the ability to evade …
and economy. Several variants with a high potential for reinfection and the ability to evade …
[PDF][PDF] Virtual screening of piperidine based small molecules against COVID-19
COVID-19 was declared a global pandemic in March 2020. Due to urgency with less time,
there was a need to explore the potential treatment to address this severe health issue. Drug …
there was a need to explore the potential treatment to address this severe health issue. Drug …
Quantum processing of cytidine derivatives and evaluating their in silico interactions with the COVID-19 main protease
This work was performed by the importance of exploring possible medications for COVID-19
pandemic. In this regard, cytidine (Cyd) derivatives were investigated to reach a point to see …
pandemic. In this regard, cytidine (Cyd) derivatives were investigated to reach a point to see …
Towards the discovery of potential RdRp inhibitors for the treatment of COVID-19: Structure guided virtual screening, computational ADME and molecular dynamics …
Abstract Coronavirus disease 2019 (COVID-19) has become a major challenge affecting
almost every corner of the world, with more than five million deaths worldwide. Despite …
almost every corner of the world, with more than five million deaths worldwide. Despite …
3-Methoxy-and 3-Ethoxysalicylaldehydes: Structural, DFT, and Optical Studies, and in Silico Prediction of the Antiviral Activity
DA Safin - Russian Journal of Physical Chemistry A, 2024 - Springer
Methoxysalicylaldehyde (1) and 3-ethoxysalicylaldehyde (2) were studied and analyzed. A
Hirshfeld surface analysis has allowed to establish that reciprocal H⋅⋅⋅ X (X= H, C, O) …
Hirshfeld surface analysis has allowed to establish that reciprocal H⋅⋅⋅ X (X= H, C, O) …