Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
[HTML][HTML] Carbon nanoparticle-based COVID-19 biosensors
F Mirzadeh-rafie, F Rahbarizadeh, N Shoaei… - Sensors …, 2023 - Elsevier
Abstract Coronavirus disease (COVID-19) is a new emerged contagious human-to-human
infection that broke out in early December 2019, threatens global public health and causing …
infection that broke out in early December 2019, threatens global public health and causing …
Impact of Early Pandemic Stage Mutations on Molecular Dynamics of SARS-CoV-2 Mpro
O Sheik Amamuddy, GM Verkhivker… - Journal of chemical …, 2020 - ACS Publications
A new coronavirus (SARS-CoV-2) is a global threat to world health and economy. Its dimeric
main protease (Mpro), which is required for the proteolytic cleavage of viral precursor …
main protease (Mpro), which is required for the proteolytic cleavage of viral precursor …
Interaction of selected terpenoids with two SARS-CoV-2 key therapeutic targets: An in silico study through molecular docking and dynamics simulations
The outbreak of COVID-19 disease caused by SARS-CoV-2, along with the lack of targeted
medicaments, forced the scientific world to search for new antiviral formulations. In the …
medicaments, forced the scientific world to search for new antiviral formulations. In the …
In Silico molecular docking and dynamic analysis of natural compounds against major non-structural proteins of SARS-COV-2
COVID-19 has infected millions and significantly affected the global economy and
healthcare systems. Despite continuous lockdowns, symptomatic management with …
healthcare systems. Despite continuous lockdowns, symptomatic management with …
In silico discovery of multi-targeting inhibitors for the COVID-19 treatment by molecular docking, molecular dynamics simulation studies, and ADMET predictions
Abstract Coronavirus disease-2019 (COVID-19), a global pandemic, has currently infected
more than 247 million people around the world. Nowadays, several receptors of COVID-19 …
more than 247 million people around the world. Nowadays, several receptors of COVID-19 …
Molecular docking studies of some selected gallic acid derivatives against five non-structural proteins of novel coronavirus
Abstract Background The World Health Organization has recently declared a new
coronavirus disease (COVID-19) a pandemic and a global health emergency. The pressure …
coronavirus disease (COVID-19) a pandemic and a global health emergency. The pressure …
Antimicrobial potentials of Pandanus amaryllifolius Roxb.: Phytochemical profiling, antioxidant, and molecular docking studies
The emergence of antimicrobial resistance has led to an urgent need for novel antimicrobial
drugs. This study aimed to determine the antioxidant and antimicrobial potentials in silico …
drugs. This study aimed to determine the antioxidant and antimicrobial potentials in silico …
Screening S protein–ACE2 blockers from natural products: strategies and advances in the discovery of potential inhibitors of COVID-19
H Liu, X Liu, X Yuan, C Xu, F Wang, J Lin, R Xu… - European Journal of …, 2021 - Elsevier
Abstract The Coronavirus disease, 2019 (COVID-19) is caused by severe acute respiratory
syndrome Coronavirus 2 (SARS-CoV-2), which poses a major threat to human life and …
syndrome Coronavirus 2 (SARS-CoV-2), which poses a major threat to human life and …
Exploration of limonoids for their broad spectrum antiviral potential via DFT, molecular docking and molecular dynamics simulation approach
S Rochlani, M Bhatia, S Rathod… - Natural Product …, 2024 - Taylor & Francis
Limonoids serve as vital secondary metabolites. Citrus limonoids show a wide range of
pharmacological potential. As a result of which limonoids from citrus are of considerable …
pharmacological potential. As a result of which limonoids from citrus are of considerable …