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The groebke‐blackburn‐bienaymé reaction
A Boltjes, A Dömling - European Journal of Organic Chemistry, 2019 - Wiley Online Library
Imidazo [1, 2‐a] pyridine is a well‐known scaffold in many marketed drugs, such as
Zolpidem, Minodronic acid, Miroprofen and DS‐1 and it also serves as a broadly applied …
Zolpidem, Minodronic acid, Miroprofen and DS‐1 and it also serves as a broadly applied …
Prospective de novo drug design with deep interactome learning
De novo drug design aims to generate molecules from scratch that possess specific
chemical and pharmacological properties. We present a computational approach utilizing …
chemical and pharmacological properties. We present a computational approach utilizing …
Chemogenomics for NR1 nuclear hormone receptors
L Isigkeit, E Schallmayer, R Busch, L Brunello… - Nature …, 2024 - nature.com
Nuclear receptors (NRs) regulate transcription in response to ligand binding and NR
modulation allows pharmacological control of gene expression. Although some NRs are …
modulation allows pharmacological control of gene expression. Although some NRs are …
Development of a potent Nurr1 agonist tool for in vivo applications
J Vietor, C Gege, T Stiller, R Busch… - Journal of Medicinal …, 2023 - ACS Publications
Nuclear receptor related 1 (Nurr1) is a neuroprotective transcription factor and an emerging
target in neurodegenerative diseases. Despite strong evidence for a role in Parkinson's and …
target in neurodegenerative diseases. Despite strong evidence for a role in Parkinson's and …
Tuning artificial intelligence on the de novo design of natural-product-inspired retinoid X receptor modulators
Instances of artificial intelligence equip medicinal chemistry with innovative tools for
molecular design and lead discovery. Here we describe a deep recurrent neural network for …
molecular design and lead discovery. Here we describe a deep recurrent neural network for …
Molecular tuning of farnesoid X receptor partial agonism
D Merk, S Sreeramulu, D Kudlinzki, K Saxena… - Nature …, 2019 - nature.com
The bile acid-sensing transcription factor farnesoid X receptor (FXR) regulates multiple
metabolic processes. Modulation of FXR is desired to overcome several metabolic …
metabolic processes. Modulation of FXR is desired to overcome several metabolic …
A dual modulator of farnesoid X receptor and soluble epoxide hydrolase to counter nonalcoholic steatohepatitis
J Schmidt, M Rotter, T Weiser, S Wittmann… - Journal of medicinal …, 2017 - ACS Publications
Nonalcoholic steatohepatitis arising from Western diet and lifestyle is characterized by
accumulation of fat in liver causing inflammation and fibrosis. It evolves as serious health …
accumulation of fat in liver causing inflammation and fibrosis. It evolves as serious health …
Discovery of betulinic acid derivatives as potent intestinal farnesoid X receptor antagonists to ameliorate nonalcoholic steatohepatitis
Farnesoid X receptor (FXR) has emerged as a promising therapeutic target for nonalcoholic
steatohepatitis (NASH) because of its tightly interwoven relationship with bile acid …
steatohepatitis (NASH) because of its tightly interwoven relationship with bile acid …
Endogenous vitamin E metabolites mediate allosteric PPARγ activation with unprecedented co-regulatory interactions
Vitamin E exhibits pharmacological effects beyond established antioxidant activity
suggesting involvement of unidentified mechanisms. Here, we characterize endogenously …
suggesting involvement of unidentified mechanisms. Here, we characterize endogenously …
Exploring fatty acid mimetics as NR4A ligands
T Stiller, D Merk - Journal of Medicinal Chemistry, 2023 - ACS Publications
The ligand-activated transcription factors Nur77, Nurr1, and NOR-1 forming the NR4A family
of nuclear receptors are considered as potential targets in various pathologies, including …
of nuclear receptors are considered as potential targets in various pathologies, including …