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 …
WGX50 mitigates doxorubicin-induced cardiotoxicity through inhibition of mitochondrial ROS and ferroptosis
P Tai, X Chen, G Jia, G Chen, L Gong, Y Cheng… - Journal of translational …, 2023 - Springer
Background Doxorubicin (DOX)-induced cardiotoxicity (DIC) is a major impediment to its
clinical application. It is indispensable to explore alternative treatment molecules or drugs for …
clinical application. It is indispensable to explore alternative treatment molecules or drugs for …
Molecular insights and optimization strategies for the competitive binding of engineered ACE2 proteins: A multiple replica molecular dynamics study
J Sun, X Liu, S Zhang, M Li, Q Zhang… - Physical Chemistry …, 2023 - pubs.rsc.org
The COVID-19 pandemic caused by severe acute respiratory syndrome coronavirus-2
(SARS-CoV-2) continues to spread globally, and rapid viral evolution and the emergence of …
(SARS-CoV-2) continues to spread globally, and rapid viral evolution and the emergence of …
Computational methods in the analysis of SARS-CoV-2 in mammals: A systematic review of the literature
PV Silva, CN Nobre - Computers in Biology and Medicine, 2024 - Elsevier
SARS-CoV-2 is an enveloped RNA virus that causes severe respiratory illness in humans
and animals. It infects cells by binding the Spike protein to the host's angiotensin-converting …
and animals. It infects cells by binding the Spike protein to the host's angiotensin-converting …
Interference of Chaga mushroom terpenoids with the attachment of SARS-CoV-2; in silico perspective
Finding a potent inhibitor to the pandemic SARS-CoV-2 is indispensable nowadays.
Currently, in-silico methods work as expeditious investigators to screen drugs for possible …
Currently, in-silico methods work as expeditious investigators to screen drugs for possible …
An Experimental and Computational Analysis of Plant Compounds from Whole Urtica dioica L. Plant's Essential Oil for Antioxidant and Antibacterial Activities
As the Urtica dioica L. whole plant's essential oil has presented significant multiple activities,
it was therefore evaluated using the GC–MS technique. This essential oil was investigated …
it was therefore evaluated using the GC–MS technique. This essential oil was investigated …
An integrated understanding of the evolutionary and structural features of the SARS-CoV-2 spike receptor binding domain (RBD)
Conventional drug development strategies typically use pocket in protein structures as drug-
target sites. They overlook the plausible effects of protein evolvability and resistant mutations …
target sites. They overlook the plausible effects of protein evolvability and resistant mutations …
Analysis of E2F1 single-nucleotide polymorphisms reveals deleterious non-synonymous substitutions that disrupt E2F1-RB protein interaction in cancer
Cancer is a medical condition that is caused by the abnormal growth and division of cells,
leading to the formation of tumors. The E2F1 and RB pathways are critical in regulating cell …
leading to the formation of tumors. The E2F1 and RB pathways are critical in regulating cell …
Integrated all-atom and coarse-grained simulations uncover structural, dynamics and energetic shifts in SARS-CoV-2 JN. 1 and BA. 2.86 variants
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), responsible for the COVID-
19 pandemic, is an enveloped, positive-stranded RNA virus that enters human cells by using …
19 pandemic, is an enveloped, positive-stranded RNA virus that enters human cells by using …
Beta, delta, and omicron, deadliest among SARS-CoV-2 variants: a computational repurposing approach
SARS-CoV-2 has been highly susceptible to mutations since its emergence in Wuhan,
China, and its subsequent propagation due to containing an RNA as its genome. The …
China, and its subsequent propagation due to containing an RNA as its genome. The …