Challenges and opportunities of developing small-molecule therapies for age-related macular degeneration
Age-related macular degeneration (AMD) is the leading cause of vision loss in senior adults.
The disease can be categorized into two types: wet AMD and dry AMD. Wet AMD, also …
The disease can be categorized into two types: wet AMD and dry AMD. Wet AMD, also …
AI Based Discovery of a New AKR1C3 Inhibitor for Anticancer Applications
AC Pippione, C Vigato, C Tucciarello… - ACS Medicinal …, 2024 - ACS Publications
AKR1C3 is an upregulated enzyme in prostate and other cancers; in addition to regulating
hormone synthesis, this enzyme is thought to play a role in the aggressiveness of tumors …
hormone synthesis, this enzyme is thought to play a role in the aggressiveness of tumors …
VDAC1-interacting molecules promote cell death in cancer organoids through mitochondrial-dependent metabolic interference
SC Nibali, S De Siervi, E Luchinat, A Magrì, A Messina… - Iscience, 2024 - cell.com
The voltage-dependent anion-selective channel isoform 1 (VDAC1) is a pivotal component
in cellular metabolism and apoptosis with a prominent role in many cancer types, offering a …
in cellular metabolism and apoptosis with a prominent role in many cancer types, offering a …
Synthesis and Evaluation of 1, 3-Disubstituted Imidazolidine-2, 4, 5-triones as Inhibitors of Pyruvate Carboxylase
NO Schneider, K Gilreath, NM Henriksen… - ACS Medicinal …, 2024 - ACS Publications
Substituted imidazolidinetriones (IZTs) have been identified as potent inhibitors of pyruvate
carboxylase (PC) through an in silico screening approach. Alkyl 2-(2, 4, 5-trioxo-3 …
carboxylase (PC) through an in silico screening approach. Alkyl 2-(2, 4, 5-trioxo-3 …
Identification of potent schistosomicidal compounds predicted as type II-kinase inhibitors against Schistosoma mansoni c-Jun N-terminal kinase SMJNK
BP Moreira, SG Gava, S Haeberlein, S Gueye… - Frontiers in …, 2024 - frontiersin.org
Introduction Schistosomiasis has for many years relied on a single drug, praziquantel (PZQ)
for treatment of the disease. Immense efforts have been invested in the discovery of protein …
for treatment of the disease. Immense efforts have been invested in the discovery of protein …
Challenges with the application and adoption of artificial intelligence for drug discovery
G Ghislat, S Hernandez-Hernandez… - arXiv preprint arXiv …, 2024 - arxiv.org
Artificial intelligence (AI) is exhibiting tremendous potential to reduce the massive costs and
long timescales of drug discovery. There are however important challenges limiting the …
long timescales of drug discovery. There are however important challenges limiting the …
[PDF][PDF] NGT: Generative AI with Synthesizability Guarantees Identifies Potent Inhibitors for a G-protein Associated Melanocortin Receptor in a Tera-scale vHTS Screen
S de Oliveira, A Pedawi, V Kenyon, H van den Bedem - 2024 - chemrxiv.org
Commercially available, synthesis-on-demand virtual libraries contain upwards of trillions of
readily synthesizable compounds for drug discovery campaigns. These libraries are a …
readily synthesizable compounds for drug discovery campaigns. These libraries are a …