[HTML][HTML] Cell phenotypes can be predicted from propensities of protein conformations

R Nussinov, Y Liu, W Zhang, H Jang - Current Opinion in Structural Biology, 2023 - Elsevier
Proteins exist as dynamic conformational ensembles. Here we suggest that the propensities
of the conformations can be predictors of cell function. The conformational states that the …

Interactions governing transcriptional activity of nuclear receptors

SH Khan, CD Okafor - Biochemical Society Transactions, 2022 - portlandpress.com
The key players in transcriptional regulation are transcription factors (TFs), proteins that bind
specific DNA sequences. Several mechanisms exist to turn TFs 'on'and 'off', including ligand …

Simulations Reveal Unique Roles for the FXR Hinge in the FXR–RXR Nuclear Receptor Heterodimer

T Yu, A Biswas, N Dube, CD Okafor - ACS Bio & Med Chem Au, 2024 - ACS Publications
Nuclear receptors are multidomain transcription factors whose full-length quaternary
architecture is poorly described and understood. Most nuclear receptors bind DNA as …

[HTML][HTML] Enhanced dynamic coupling in a nuclear receptor underlies ligand activity

T Yu, P Villalona, SH Khan, N Mikeasky… - Journal of Biological …, 2025 - Elsevier
Bile acids are signaling molecules with critical roles in cholesterol and lipid metabolism,
achieved by regulating the transcriptional activity of the farnesoid X receptor (FXR, NR1H4) …

[HTML][HTML] Illuminating ligand-induced dynamics in nuclear receptors through MD simulations

T Yu, N Sudhakar, CD Okafor - Biochimica et Biophysica Acta (BBA)-Gene …, 2024 - Elsevier
Nuclear receptors (NRs) regulate gene expression in critical physiological processes, with
their functionality finely tuned by ligand-induced conformational changes. While NRs may …

Identification of phytocompounds as potent inhibitors of sodium/glucose cotransporter-2 leading to diabetes treatment

A Swargiary, M Daimari, A Swargiary… - Journal of …, 2024 - Taylor & Francis
Type-II diabetes, a major metabolic disorder has threatened the very existence of a healthy
life since long ago. Commercially available antidiabetic drugs are known for several adverse …

Antagonism of Estrogen Receptor α-Driven Transcription Mediated by AP-1 in Breast Cancer Therapy

G Leclercq - Endocrines, 2024 - mdpi.com
The evolution of breast cancers results from the emergence of epithelial cell subpopulations
containing variant Estrogen Receptor α which is able to bypass conventional treatments …

Simulations reveal unique roles for the FXR hinge in the FXR-RXR nuclear receptor heterodimer

T Yu, A Biswas, N Dube, CD Okafor - bioRxiv, 2024 - biorxiv.org
Nuclear receptors are multidomain transcription factors whose full-length quaternary
architecture is poorly described and understood. Most nuclear receptors bind DNA as …

Comprehensive functional characterization of a glucosyltransferase from Nicotiana benthamiana

J Liao - 2024 - mediatum.ub.tum.de
Protein conformational dynamics play a pivotal role in enzyme catalysis and hold significant
implications in bioengineering. Notably, scopoletin exerts a substantial inhibitory effect on a …