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] The exploration of phytocompounds theoretically combats SARS-CoV-2 pandemic against virus entry, viral replication and immune evasion
TH Chen, MJ Tsai, CS Chang, L Xu, YS Fu… - Journal of Infection and …, 2023 - Elsevier
Background The novel coronavirus disease-2019 (COVID-19) that emerged in China, is an
extremely contagious and pathogenic viral infection caused by the severe acute respiratory …
extremely contagious and pathogenic viral infection caused by the severe acute respiratory …
Plant derived active compounds of ayurvedic neurological formulation, Saraswatharishta as a potential dual leucine zipper kinase inhibitor: an in-silico study
Recent findings have highlighted the essential role of dual leucine zipper kinase (DLK) in
neuronal degeneration. Saraswatharishta (SWRT), an ayurvedic formulation utilized in …
neuronal degeneration. Saraswatharishta (SWRT), an ayurvedic formulation utilized in …
Withania somnifera extract reduces gastric cancerous properties through inhibition of gankyrin in cellular milieu produced by Helicobacter pylori and Epstein Barr …
Abstract Helicobacter pylori and Epstein Barr virus (EBV) are group1 carcinogens and their
role in Gastric cancer (GC) is well established. Previously we have shown that H. pylori and …
role in Gastric cancer (GC) is well established. Previously we have shown that H. pylori and …
Plant-derived active compounds as a potential nucleocapsid protein inhibitor of SARS-CoV-2: an in-silico study
Abstract The coronavirus disease 2019 (COVID-19) is caused by SARS-CoV-2. This virus
has a high mismatch repair proofreading ability due to its unique exonuclease activity …
has a high mismatch repair proofreading ability due to its unique exonuclease activity …
Finding inhibitors and deciphering inhibitor-induced conformational plasticity in the Janus kinase via multiscale simulations
MF Sk, P Kar - SAR and QSAR in Environmental Research, 2022 - Taylor & Francis
The Janus kinase (JAK) is a master regulator of the JAK/STAT pathway. Dysregulation of this
signalling cascade causes neuroinflammation and autoimmune disorders. Therefore, JAKs …
signalling cascade causes neuroinflammation and autoimmune disorders. Therefore, JAKs …
Phosphorylation-induced conformational dynamics and inhibition of Janus Kinase 1 by suppressors of cytokine signaling 1
The dysfunction of the JAK/STAT (Janus kinase/signal transducers and activators of
transcription) pathway results in several pathophysiological conditions, including …
transcription) pathway results in several pathophysiological conditions, including …
[HTML][HTML] Comparative Structural Dynamics of Isoforms of Helicobacter pylori Adhesin BabA Bound to Lewis b Hexasaccharide via Multiple Replica Molecular …
BabA of Helicobacter pylori is the ABO blood group antigen-binding adhesin. Despite
considerable diversity in the BabA sequence, it shows an extraordinary adaptation in …
considerable diversity in the BabA sequence, it shows an extraordinary adaptation in …
Identification of inhibitors for neurodegenerative diseases targeting dual leucine zipper kinase through virtual screening and molecular dynamics simulations
Neurodegenerative diseases lead to a gradual decline in cognitive and motor functions due
to the progressive loss of neurons in the central nervous system. The role of dual leucine …
to the progressive loss of neurons in the central nervous system. The role of dual leucine …
[HTML][HTML] Activation-induced cytidine deaminase an antibody diversification enzyme interacts with chromatin modifier UBN1 in B-cells
Activation-induced cytidine deaminase (AID) is the key mediator of antibody diversification in
activated B-cells by the process of somatic hypermutation (SHM) and class switch …
activated B-cells by the process of somatic hypermutation (SHM) and class switch …