Molecular insights into the selective binding mechanism targeting parallel human telomeric G-quadruplex

Y Wang, G Li, T Meng, L Qi, H Yan, Z Wang - Journal of Molecular Graphics …, 2022 - Elsevier
Stabilizing human telomere DNA G-quadruplex (G4) proves a promising anti-cancer
strategy. Though plenty of G4 stabilizing molecules have been reported, little is known about …

Engineered histidine-enriched facial Lipopeptides for enhanced intracellular delivery of functional siRNA to triple negative breast Cancer cells

A Biswas, K Chakraborty, C Dutta… - … applied materials & …, 2019 - ACS Publications
Cytosolic delivery of functional siRNA remains the major challenge to develop siRNA-based
therapeutics. Designing clinically safe and effective siRNA transporter to deliver functional …

Rnabpdb: Molecular modeling of rna structure—From base pair analysis in crystals to structure prediction

D Mukherjee, S Maiti, PK Gouda, R Sharma… - Interdisciplinary …, 2022 - Springer
The stable three-dimensional structure of RNA is known to play several important
biochemical roles, from post-transcriptional gene regulation to enzymatic action. These …

In search of an efficient Photoswitch for functional RNA: design principles from a microscopic analysis of Azobenzene-linker-RNA dynamics with different linkers

P Mondal, M Biswas, T Goldau, A Heckel… - The Journal of …, 2015 - ACS Publications
The design of optimal photoswitches to regulate nucleic acid functionality is a considerable
challenge. Azobenzene switches that are covalently bound to the nucleic acid backbone are …

Structural Switch from Hairpin to Duplex/Antiparallel G-Quadruplex at Single-Nucleotide Polymorphism (SNP) Site of Human Apolipoprotein E (APOE) Gene Coding …

S Chaudhary, M Kaushik, S Ahmed, R Kukreti… - ACS …, 2018 - ACS Publications
A gradual dementia, which leads to the loss of memory and intellectual abilities, is the main
characteristics of Alzheimer's disease. Amyloid-β (Aβ) plaques are the main components …

RNABP COGEST: a resource for investigating functional RNAs

S Bhattacharya, S Mittal, S Panigrahi, P Sharma… - Database, 2015 - academic.oup.com
Structural bioinformatics of RNA has evolved mainly in response to the rapidly accumulating
evidence that non-(protein)-coding RNAs (ncRNAs) play critical roles in gene regulation and …

Introducing structure–energy concepts of RNA at the undergraduate level: nearest neighbor thermodynamics and NMR spectroscopy of a GAGA tetraloop

G Takor, CE Morgan, LY Chiu, N Kendrick… - Journal of Chemical …, 2020 - ACS Publications
Two-dimensional nuclear magnetic resonance (2D NMR) techniques are regularly used for
the determination of RNA structures. In an effort to introduce advanced level students who …

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 …

Structural switching/polymorphism by sequential base substitution at quasi-palindromic SNP site (G→ A) in LCR of human β-globin gene cluster

N Nain, A Singh, S Khan, M Kaushik… - International Journal of …, 2022 - Elsevier
The human β-globin gene Locus Control Region (LCR), a dominant regulator of globin gene
expression contains five tissue-specific DNase I-hypersensitive sites (HSs). A single …

Sequence specificity in DNA–drug intercalation: MD simulation and density functional theory approaches

L Maganti, D Bhattacharyya - Journal of computer-aided molecular design, 2020 - Springer
DNA is an essential target for the treatment of various pathologies, especially cancer. Hence
targeting DNA double helix for alteration of its function has been attempted by several ways …