Mitigating the impacts of the COVID-19 pandemic on crop farming: a nanotechnological approach

FO Akinhanmi, OI Ayanda, EF Ahuekwe, GA Dedeke - Agriculture, 2023 - mdpi.com
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 …

Novel α-aminophosphonate derivates synthesis, theoretical calculation, Molecular docking, and in silico prediction of potential inhibition of SARS-CoV-2

N Chafai, O Moumeni, S Chafaa - Journal of Molecular Structure, 2023 - Elsevier
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 …

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 …

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 …

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 …

[HTML][HTML] Computational design of medicinal compounds to inhibit RBD-hACE2 interaction in the Omicron variant: Unveiling a vulnerable target site

M Shahab, S Akter, MMH Sarkar, TA Banu… - Informatics in Medicine …, 2023 - Elsevier
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 …

[PDF][PDF] Virtual screening of piperidine based small molecules against COVID-19

H Khalid, R Hussain, A Hafeez - Lab-in-Silico, 2020 - researchgate.net
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 …

Quantum processing of cytidine derivatives and evaluating their in silico interactions with the COVID-19 main protease

K Harismah, N Hajali, M Mirzaei… - Main Group …, 2022 - journals.sagepub.com
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 …

Towards the discovery of potential RdRp inhibitors for the treatment of COVID-19: Structure guided virtual screening, computational ADME and molecular dynamics …

A Alam, GP Agrawal, S Khan, H Khalilullah… - Structural Chemistry, 2022 - Springer
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 …

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) …