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 …
Computational studies indicated the effectiveness of human metabolites against SARS-CoV-2 main protease
To fight against the devastating coronavirus disease 2019 (COVID-19), identifying robust
anti-SARS-CoV-2 therapeutics from all possible directions is necessary. To contribute to this …
anti-SARS-CoV-2 therapeutics from all possible directions is necessary. To contribute to this …
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 …
Exploring molecular interactions of potential inhibitors against the spleen tyrosine kinase implicated in autoimmune disorders via virtual screening and molecular …
The spleen tyrosine kinase (Syk) plays a pivotal role in immune cells' signal transduction
mechanism. While fostamatinib, an FDA-approved Syk inhibitor, is currently used to treat …
mechanism. While fostamatinib, an FDA-approved Syk inhibitor, is currently used to treat …
Elucidating the conformational dynamics of histo-blood group antigens and their interactions with the rotavirus spike protein through computational lens
In the present study, we investigated the conformational dynamics of histo-blood group
antigens (HBGAs) and their interactions with the VP8* domain of four rotavirus genotypes (P …
antigens (HBGAs) and their interactions with the VP8* domain of four rotavirus genotypes (P …