A 5′-flanking C/G pair at the core region enhances the recognition and binding of Kaiso to methylated DNA

B Thapa, NP Adhikari, PB Tiwari… - Journal of Chemical …, 2022 - ACS Publications
Methyl CpG binding proteins (MBPs) are transcription factors that recognize the methylated
CpG sites in DNA and mediate the DNA methylation signal into various downstream cellular …

Probing the microscopic structure and flexibility of oxidized DNA by molecular simulations

KB Chhetri, S Naskar, PK Maiti - Indian Journal of Physics, 2022 - Springer
The oxidative damage of DNA is a compelling issue in molecular biophysics as it plays a
vital role in the epigenetic control of gene expression and is believed to be associated with …

Base flipping mechanism and binding strength of methyl-damaged DNA during the interaction with AGT

RP Koirala, NP Adhikari - Journal of Biological Physics, 2024 - Springer
Methyl damage to DNA bases is common in the cell nucleus. O6-alkylguanine-DNA alkyl
transferase (AGT) may be a promising candidate for direct damage reversal in methylated …

Unbinding of Alpha Chain of Hemoglobin in Sickle and Normal Structures

J Powrel, RP Koirala, NP Adhikari - Journal of Physics …, 2025 - iopscience.iop.org
Sickle cell disease, a genetic disorder, is caused by a mutation of glutamic acid into valine in
the β chain of hemoglobin at the sixth residue, resulting in structural change of the entire …

Elastic property of sickle and normal hemoglobin protein: Molecular dynamics

J Powrel, NP Adhikari - AIP Advances, 2022 - pubs.aip.org
This work focuses on identifying the conformational stability and binding components in
sickle and normal hemoglobin to explore the elastic properties and realize the stiffness by …

Structural stability of R-state conformation of carbonmonoxyl sickle and normal hemoglobin dimer

J Powrel, RP Koirala, NP Adhikari - Journal of Biomolecular …, 2023 - Taylor & Francis
A mutation at the sixth residue, glutamic acid to valine, in beta chain of hemoglobin distorts
the entire shape of hemoglobin into a sickle shape. The investigation of the binding …

Flipping Back of Extrahelical Guanine after Methyl Repair

RP Koirala, NP Adhikari - BIBECHANA, 2022 - nepjol.info
Methylation at O6 atom of guanine is a type of DNA damage which can cause a cancer. This
damage at O6 atom of guanine in a DNA can be transferred to SG atom of cysteine in O6 …