Toward an understanding of pan-assay interference compounds and promiscuity: a structural perspective on binding modes

SN Bolz, MF Adasme, M Schroeder - Journal of Chemical …, 2021 - ACS Publications
Pan-assay interference compounds (PAINS) are promiscuous compound classes that
produce false positive hits in high-throughput screenings. Yet, the mechanisms of PAINS …

Discovery of Nanomolar Inhibitors for Human Dihydroorotate Dehydrogenase Using Structure-Based Drug Discovery Methods

WT Higgins, S Vibhute, C Bennett… - Journal of Chemical …, 2024 - ACS Publications
We used a structure-based drug discovery approach to identify novel inhibitors of human
dihydroorotate dehydrogenase (DHODH), which is a therapeutic target for treating cancer …

[HTML][HTML] Cyclin A2 and Ki-67 proliferation markers could be used to identify tumors with poor prognosis in African American women with breast cancer

D Beyene, T Naab, V Apprey, L Ricks-Santi… - Journal of cancer …, 2023 - ncbi.nlm.nih.gov
Background: Diagnosed invasive breast carcinomas in African American patients are more
aggressive compared with those in Caucasian patients and diagnosed at later stages of the …

Molecular docking-based virtual screening: Challenges in hits identification for Anti-SARS-CoV-2 activity

K Budipramana, F Sangande - Pharmacia, 2022 - repository.ubaya.ac.id
The emergence of severe acute respiratory syndrome coronavirus 2 (SARS-Cov-2) requires
finding new drugs or repurposing drugs for clinical use. Molecular docking belongs to …

A joint method for the screening of pharmacological chaperones for phenylalanine hydroxylase

Z Zhang, D Ma, X Wang, Y Wang, Y Li… - Organic & …, 2021 - pubs.rsc.org
Phenylalanine hydroxylase (PAH) deficiency (PAHD) is an autosomal recessive disorder
that causes severe injury to the nervous system, the treatment of which mainly depends on …