COVID-19, cytokines, inflammation, and spices: How are they related?

AB Kunnumakkara, V Rana, D Parama, K Banik… - Life sciences, 2021 - Elsevier
Background Cytokine storm is the exaggerated immune response often observed in viral
infections. It is also intimately linked with the progression of COVID-19 disease as well as …

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 …

VDA-RWLRLS: An anti-SARS-CoV-2 drug prioritizing framework combining an unbalanced bi-random walk and Laplacian regularized least squares

L Shen, F Liu, L Huang, G Liu, L Zhou… - Computers in biology and …, 2022 - Elsevier
Background A new coronavirus disease named COVID-19, caused by severe acute
respiratory syndrome coronavirus-2 (SARS-CoV-2), is rapidly spreading worldwide …

[HTML][HTML] Multi-epitope vaccine for monkeypox using pan-genome and reverse vaccinology approaches

RG Swetha, S Basu, S Ramaiah, A Anbarasu - Viruses, 2022 - mdpi.com
Outbreaks of monkeypox virus infections have imposed major health concerns worldwide,
with high morbidity threats to children and immunocompromised adults. Although …

A comprehensive review on genomics, systems biology and structural biology approaches for combating antimicrobial resistance in ESKAPE pathogens …

P Priyamvada, R Debroy, A Anbarasu… - World Journal of …, 2022 - Springer
In recent decades, antimicrobial resistance has been augmented as a global concern to
public health owing to the global spread of multidrug-resistant strains from different ESKAPE …

MurC ligase of multi-drug resistant Salmonella Typhi can be inhibited by novel curcumin derivative: evidence from molecular docking and dynamics simulations

R Debroy, S Ramaiah - The International Journal of Biochemistry & Cell …, 2022 - Elsevier
Emerging multi-drug resistance in recent Salmonella Typhi isolates, causative agent of
enteric Typhoid fever, compelled us to investigate alternative therapeutic strategies. The …

[HTML][HTML] An overview of potential inhibitors targeting non-structural proteins 3 (PLpro and Mac1) and 5 (3CLpro/Mpro) of SARS-CoV-2

F Yan, F Gao - Computational and structural biotechnology journal, 2021 - Elsevier
There is an urgent need to develop effective treatments for coronavirus disease 2019
(COVID-19), which is caused by severe acute respiratory syndrome coronavirus 2 (SARS …

Identification of bioactive natural compounds as efficient inhibitors against Mycobacterium tuberculosis protein-targets: a molecular docking and molecular dynamics …

SK Miryala, S Basu, A Naha, R Debroy… - Journal of Molecular …, 2021 - Elsevier
Mycobacterium tuberculosis (Mtb), the etiological agent of tuberculosis (TB), imposes a
significantly high morbidity threat to humans in both developed and developing nations. The …

In silico structure evaluation of BAG3 and elucidating its association with bacterial infections through protein–protein and host‐pathogen interaction analysis

S Basu, A Naha, B Veeraraghavan… - Journal of Cellular …, 2022 - Wiley Online Library
BAG3, a co‐chaperone protein with a Bcl‐2‐associated athanogene (BAG) domain, has
diverse functionalities in protein‐folding, apoptosis, inflammation, and cell cycle regulatory …

[HTML][HTML] Drug repurposing for SARS-CoV-2 main protease: Molecular docking and molecular dynamics investigations

SE Omer, TM Ibrahim, OA Krar, AM Ali, AA Makki… - … and biophysics reports, 2022 - Elsevier
The current novel corona virus illness (COVID-19) is a developing viral disease that was
discovered in 2019. There is currently no viable therapeutic strategy for this illness …