19 F NMR viewed through two different lenses: ligand-observed and protein-observed 19 F NMR applications for fragment-based drug discovery

CR Buchholz, WCK Pomerantz - RSC chemical biology, 2021 - pubs.rsc.org
19F NMR has emerged as a powerful tool in drug discovery, particularly in fragment-based
screens. The favorable magnetic resonance properties of the fluorine-19 nucleus, the …

Emerging entities in NUTM1‐rearranged neoplasms

CR McEvoy, SB Fox, OWJ Prall - Genes, Chromosomes and …, 2020 - Wiley Online Library
Structural alterations of NUTM1 were originally thought to be restricted to poorly
differentiated carcinomas with variable squamous differentiation originating in the midline …

BPTF Drives Gastric Cancer Resistance to EGFR Inhibitor by Epigenetically Regulating the C‐MYC/PLCG1/Perk Axis

F Li, J Yu, T Pan, H Feng, J Li, B Yu, Z Fan… - Advanced …, 2023 - Wiley Online Library
Erlotinib, an EGFR tyrosine kinase inhibitor, is used for treating patients with cancer
exhibiting EGFR overexpression or mutation. However, the response rate of erlotinib is low …

SAR by (Protein-Observed) 19F NMR

A Divakaran, SE Kirberger… - Accounts of chemical …, 2019 - ACS Publications
Conspectus Inhibitor discovery for protein–protein interactions has proven difficult due to the
large protein surface areas and dynamic interfaces involved. This is particularly the case …

On calculating free energy differences using ensembles of transition paths

R Hall, T Dixon, A Dickson - Frontiers in molecular biosciences, 2020 - frontiersin.org
The free energy of a process is the fundamental quantity that determines its spontaneity or
propensity at a given temperature. In particular, the binding free energy of a drug candidate …

Opportunity knocks for uncovering the new function of an understudied nucleosome remodeling complex member, the bromodomain PHD finger transcription factor …

H Zahid, NM Olson, WCK Pomerantz - Current opinion in chemical biology, 2021 - Elsevier
Nucleosome remodeling provides access to genomic DNA for recruitment of the
transcriptional machinery to mediate gene expression. The aberrant function of nucleosome …

Evaluating the advantages of using 3D-enriched fragments for targeting BET bromodomains

JA Johnson, CA Nicolaou, SE Kirberger… - ACS Medicinal …, 2019 - ACS Publications
Fragment-based ligand discovery has been successful in targeting diverse proteins. Despite
drug-like molecules having more 3D character, traditional fragment libraries are largely …

Discovery of high-affinity inhibitors of the BPTF bromodomain

T Lu, H Lu, Z Duan, J Wang, J Han, S Xiao… - Journal of Medicinal …, 2021 - ACS Publications
The dysfunctional bromodomain PHD finger transcription factor (BPTF) exerts a pivotal
influence in the occurrence and development of many human diseases, particularly cancers …

New design rules for developing potent cell-active inhibitors of the nucleosome remodeling factor (NURF) via BPTF bromodomain inhibition

H Zahid, CR Buchholz, M Singh… - Journal of medicinal …, 2021 - ACS Publications
The nucleosome remodeling factor (NURF) alters chromatin accessibility through
interactions with its largest subunit, the bromodomain PHD finger transcription factor BPTF …

New inhibitors for the BPTF bromodomain enabled by structural biology and biophysical assay development

PD Ycas, H Zahid, A Chan, NM Olson… - Organic & …, 2020 - pubs.rsc.org
Bromodomain-containing proteins regulate transcription through protein–protein interactions
with chromatin and serve as scaffolding proteins for recruiting essential members of the …