Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2

K Gao, R Wang, J Chen, L Cheng, J Frishcosy… - Chemical …, 2022 - ACS Publications
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …

Putative repurposing of lamivudine, a nucleoside/nucleotide analogue and antiretroviral to improve the outcome of cancer and COVID-19 patients

JJ García-Trejo, R Ortega, M Zarco-Zavala - Frontiers in Oncology, 2021 - frontiersin.org
Lamivudine, also widely known as 3TC belongs to a family of nucleotide/nucleoside
analogues of cytidine or cytosine that inhibits the Reverse Transcriptase (RT) of retroviruses …

Natural plant products as potential inhibitors of RNA dependent RNA polymerase of Severe Acute Respiratory Syndrome Coronavirus-2

S Koulgi, V Jani, M Uppuladinne VN, U Sonavane… - PLoS …, 2021 - journals.plos.org
Drug repurposing studies targeting inhibition of RNA dependent RNA polymerase (RdRP) of
Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) have exhibited the …

RNA-dependent RNA polymerase of SARS-CoV-2 regulate host mRNA translation efficiency by hijacking eEF1A factors

H Gan, X Zhou, Q Lei, L Wu, J Niu, Q Zheng - Biochimica et Biophysica Acta …, 2024 - Elsevier
The RNA-dependent RNA polymerase (NSP12) of COVID-19 plays a significant role in the
viral infection process, which promotes viral RNA replication by cooperating with NSP7 and …

Markov state models: to optimize or not to optimize

RE Arbon, Y Zhu, ASJS Mey - Journal of Chemical Theory and …, 2024 - ACS Publications
Markov state models (MSM) are a popular statistical method for analyzing the
conformational dynamics of proteins including protein folding. With all statistical and …

Unveiling the “template-dependent” inhibition on the viral transcription of SARS-CoV-2

X Luo, X Wang, Y Yao, X Gao… - The Journal of Physical …, 2022 - ACS Publications
Remdesivir is one nucleotide analogue prodrug capable to terminate RNA synthesis in
SARS-CoV-2 RNA-dependent RNA polymerase (RdRp) by two distinct mechanisms …

Trapping a non-cognate nucleotide upon initial binding for replication fidelity control in SARS-CoV-2 RNA dependent RNA polymerase

ME Romero, SJ McElhenney, J Yu - Physical Chemistry Chemical …, 2024 - pubs.rsc.org
The RNA dependent RNA polymerase (RdRp) in SARS-CoV-2 is a highly conserved
enzyme responsible for viral genome replication/transcription. To understand how the viral …

Unlocking the potential of RNAi as a therapeutic strategy against infectious viruses: an in-silico study

MVN Uppuladinne, S Koulgi, V Jani, U Sonavane… - Chemical Papers, 2024 - Springer
RNA interference is an upcoming methodology being designed to specifically target viral
infections. The current study suggests a strategy to design probable small interfering RNAs …

Identification of potential targets against SARS‐CoV‐2 of antiviral drugs based on photoaffinity probes

Y Ma, J Wang, X Pan, J Zhang… - Drug Development …, 2023 - Wiley Online Library
Facing the sudden outbreak of coronavirus disease 2019 (COVID‐19), it is extremely urgent
to develop effective antiviral drugs against severe acute respiratory syndrome coronavirus 2 …

Synthesis of some ribonucleosides derivatives and molecular docking analysis against variant corona virus omicrone

D Ouzebla, N Ourhriss, A Eşme… - Current Chemistry …, 2024 - growingscience.com
In this work, ribonucleoside products have been prepared by employing stannic
tetrachloride (SnCl4) and natural phosphate as catalysts. The obtained result suggests that …