ABBV-744 as a potential inhibitor of SARS-CoV-2 main protease enzyme against COVID-19

Z Fakhar, S Khan, SY AlOmar, A Alkhuriji, A Ahmad - Scientific Reports, 2021 - nature.com
A new pathogen severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has
spread worldwide and become pandemic with thousands new deaths and infected cases …

E156G and Arg158, Phe-157/del mutation in NTD of spike protein in B. 1.617. 2 lineage of SARS-CoV-2 leads to immune evasion through antibody escape

AM Chaudhari, D Kumar, M Joshi, A Patel, C Joshi - BioRxiv, 2021 - biorxiv.org
Emerging variants of SARS-CoV-2 with better immune escape mechanisms and higher
transmissibility remains a persistent threat across the globe. B. 1.617. 2 (Delta) variant was …

Defective ORF8 dimerization in SARS-CoV-2 delta variant leads to a better adaptive immune response due to abrogation of ORF8-MHC1 interaction

AM Chaudhari, I Singh, M Joshi, A Patel, C Joshi - Molecular Diversity, 2023 - Springer
In India, during the second wave of the COVID-19 pandemic, the breakthrough infections
were mainly caused by the SARS-COV-2 delta variant (B. 1.617. 2). It was reported that …

[HTML][HTML] Interactions between Inhibitors and 5-Lipoxygenase: Insights from Gaussian Accelerated Molecular Dynamics and Markov State Models

Y Liu, K Wang, F Cao, N Gao, W Li - International Journal of Molecular …, 2024 - mdpi.com
Inflammation is a protective stress response triggered by external stimuli, with 5-
lipoxygenase (5LOX) playing a pivotal role as a potent mediator of the leukotriene (Lts) …

Impact of non-synonymous mutations on the structure and function of telomeric repeat binding factor 1

I Habib, S Khan, T Mohammad, A Hussain… - Journal of …, 2022 - Taylor & Francis
Telomeric repeat binding factor 1 (TRF1) is one of the major components of the shelterin
complex. It directly binds to the telomere and controls its function by regulating the …

Molecular dynamics simulations of wild type and mutants of human complement receptor 2 complexed with C3d

H Wan, J Hu, X Tian, S Chang - Physical Chemistry Chemical Physics, 2013 - pubs.rsc.org
The interaction between human complement receptor type 2 (CR2) and antigen-bound C3d
can bridge the innate and adaptive immune systems. The recently determined structure of …

[HTML][HTML] Evaluation of immune evasion in SARS-CoV-2 Delta and Omicron variants

AM Chaudhari, M Joshi, D Kumar, A Patel… - Computational and …, 2022 - Elsevier
Emerging SARS-CoV-2 variants with higher transmissibility and immune escape remain a
persistent threat across the globe. This is evident from the recent outbreaks of the Delta (B …

Impact of single amino acid substitution on the structure and function of TANK‐binding kinase‐1

M Umair, S Khan, T Mohammad… - Journal of cellular …, 2021 - Wiley Online Library
Abstract Tank‐binding kinase 1 (TBK1) is a serine/threonine protein kinase involved in
various signaling pathways and subsequently regulates cell proliferation, apoptosis …

Function and regulation of acid resistance antiporters

EM Krammer, M Prévost - The Journal of Membrane Biology, 2019 - Springer
Bacterial pathogens are a major cause of foodborne diseases and food poisoning. To cope
with the acid conditions encountered in different environments such as in fermented food or …

Exploring the molecular basis of RNA recognition by the dimeric RNA-binding protein via molecular simulation methods

S Chang, DW Zhang, L Xu, H Wan, TJ Hou, R Kong - RNA biology, 2016 - Taylor & Francis
ABSTRACT RNA-binding protein with multiple splicing (RBPMS) is critical for axon
guidance, smooth muscle plasticity, and regulation of cancer cell proliferation and migration …