Keeping pace with the explosive growth of chemical libraries with structure‐based virtual screening

J Kuan, M Radaeva, A Avenido… - Wiley …, 2023 - Wiley Online Library
Recent efforts to synthetically expand drug‐like chemical libraries have led to the
emergence of unprecedently large virtual databases. This surge of make‐on‐demand …

Computer-aided ligand discovery for estrogen receptor alpha

D Bafna, F Ban, PS Rennie, K Singh… - International Journal of …, 2020 - mdpi.com
Breast cancer (BCa) is one of the most predominantly diagnosed cancers in women.
Notably, 70% of BCa diagnoses are Estrogen Receptor α positive (ERα+) making it a critical …

Selectively targeting the dimerization interface of human androgen receptor with small-molecules to treat castration-resistant prostate cancer

K Dalal, F Ban, H Li, H Morin, M Roshan-Moniri… - Cancer letters, 2018 - Elsevier
Prostate cancer (PCa) is a leading cause of death for men in North America. The androgen
receptor (AR)-a hormone inducible transcription factor-drives expression of tumor promoting …

Integrating biocomputational techniques for Breast cancer drug discovery via the HER-2, BCRA, VEGF and ER protein targets

TT Odunitan, OA Saibu, BT Apanisile… - Computers in Biology …, 2024 - Elsevier
Computational modelling remains an indispensable technique in drug discovery. With
myriad of high computing resources, and improved modelling algorithms, there has been a …

Influence of seminal metals on assisted reproduction outcome

R Rodríguez-Díaz, R Blanes-Zamora… - Biological trace element …, 2023 - Springer
Increased levels of metal ions in human seminal fluid have a significant correlation with
male fertility. Few publications explain the effect of metals in semen and their influence on …

[HTML][HTML] Allosteric binding on nuclear receptors: Insights on screening of non-competitive endocrine-disrupting chemicals

C Zhang, J Wu, Q Chen, H Tan, F Huang, J Guo… - Environment …, 2022 - Elsevier
Endocrine-disrupting chemicals (EDCs) can compete with endogenous hormones and bind
to the orthosteric site of nuclear receptors (NRs), affecting normal endocrine system function …

Steroid receptor/coactivator binding inhibitors: An update

KJ Skowron, K Booker, C Cheng, S Creed… - Molecular and cellular …, 2019 - Elsevier
The purpose of this review is to highlight recent developments in small molecules and
peptides that block the binding of coactivators to steroid receptors. These coactivator binding …

A new anti-estrogen discovery platform identifies FDA-approved imidazole anti-fungal drugs as bioactive compounds against ERα expressing breast cancer cells

M Cipolletti, S Bartoloni, C Busonero… - International journal of …, 2021 - mdpi.com
17β-estradiol (E2) exerts its physiological effects through the estrogen receptor α (ie, ERα).
The E2: ERα signaling allows the regulation of cell proliferation. Indeed, E2 sustains the …

Targeting binding function-3 of the androgen receptor blocks its co-chaperone interactions, nuclear translocation, and activation

N Lallous, E Leblanc, RSN Munuganti… - Molecular cancer …, 2016 - AACR
The development of new antiandrogens, such as enzalutamide, or androgen synthesis
inhibitors like abiraterone has improved patient outcomes in the treatment of advanced …

Characterization of novel small molecule inhibitors of estrogen receptor-activation function 2 (ER-AF2)

J Foo, F Gentile, S Massah, H Morin, K Singh… - Breast Cancer …, 2024 - Springer
Up to 40% of patients with estrogen receptor (ER)-positive breast cancer will develop
resistance against the majority of current ER-directed therapies. Resistance can arise …