Aglycone, Glycoside, or Glucuronide? Experimental and Mechanistic Insights into the Antioxidative Potential of Gossypetin, Gossypin, and Hibifolin Oxidative stress, caused by an imbalance between reactive oxygen species and antioxidants, drives chronic diseases such as cancer and neurodegeneration. This study investigates the antioxidant potenti...

New paper out in Journal of Physical Chemistry B with Dr Adam Kowalczyk!

We explored how structural differences—aglycone, glycoside, or glucuronide—affect flavonoid antioxidant activity using both experiments and quantum modeling.

🔗 doi.org/10.1021/acs....
#chemistry #DFT #antioxidants #science

Novel Flavonoid Derivatives Show Potent Efficacy in Human Lymphoma Models Background Despite significant therapeutic progress, many lymphoma subtypes remain difficult to manage due to resistance, relapse, and dose-limiting toxicity. Methods To elucidate the mechanism of...

A work on new semi-synthetic flavonoid derivatives with anti-tumor activity in lymphoma models is out in eJHaem. Thanks to Eugenio Gaudio, Paulina Biniecka, and Dan Stoicescu for involving us.
@iorbellinzona.bsky.social

doi.org/10.1002/jha2...

Study: Kaempferol, a Common Plant Flavonoid, Helps Tame Allergic Responses Kaempferol exerts an anti-inflammatory effect and can suppress an excessive immune response seen in allergies.

A fascinating study from the Tokyo University of Science showed that a common flavonoid found in foods like kale and broccoli suppressed #foodallergy symptoms in mice, hopefully leading to human therapies.
snacksafely.com/2024/12/stud...

FlavonoidSearch: A system for comprehensive flavonoid annotation by mass spectrometry

www.nature.com/articles/s41...

KIPEs3: Automatic annotation of biosynthesis pathways Flavonoids and carotenoids are pigments involved in stress mitigation and numerous other processes. Both pigment classes can contribute to flower and fruit coloration. Flavonoid aglycones and caroteno...

Meet KIPEs3 – a powerful tool for decoding plant pigment biosynthesis! 🌱🎨 Now with enhanced features, it automates the analysis of flavonoid & carotenoid pathways across species, aiding research & biotech:
doi.org/10.1371/jour...
#PlantScience #KIPEs3 19/🧵

The flavonoid fisetin reduces multiple physiological risk factors for dementia Dementia is a growing problem around the globe as the world's population continues to age. Multiple studies have identified potentially modifiable ris…

The flavonoid fisetin reduces multiple physiological risk factors for dementia
www.sciencedirect.com/science/arti...
Further human research on fisetin in the context of dementia risk factors is clearly warranted

A new chemical study of Hippeastrum stapfianum (Kraenzl.) R.S.Oliveira & Dutilh (Amaryllidaceae) A chemical investigation of the leaves and bulbs of Hippeastrum stapfianum (Kraenzl.) R.S.Oliveira & Dutilh) resulted in the isolation and purificatio…

🌿 Seven compounds isolated from Hippeastrum stapfianum
✨ ellagitannin, alkaloid, triterpenoids, flavonoid & coumarin.
🔬 Three compounds identified in this species for the first time.
#Phytochemistry #Cerrado #PlantScience
@cnpq-oficial.bsky.social @FAPDF @UnB
www.sciencedirect.com/science/arti...

Uncover the antimicrobial superpowers of Limnophila aromatica - a traditional medicinal plant that harbors nevadensin, a potent flavonoid, and other bioactive compounds, offering promisin...

🧵 Thread below

Full analysis: https://helixbrief.com/article/c09c1fc6-3beb-447b-82a2-d0a7ae1be0b3

Decoding the Mystery Behind Anthocyanin Biosynthesis in Horticultural Plants Recent advances in plant molecular biology have shed much light on the complex biosynthesis and regulatory networks underlying anthocyanin production in horticultural plants. Anthocyanins, a prominent class of flavonoid compounds, not only imbue flowers, fruits, and leaves with their vivid pigmentation but also play integral roles in plant physiological responses, including stress adaptation and disease resistance. Driven by interest in optimizing both the ornamental and nutritional qualities of horticultural crops, researchers are diving deeper into the metabolic pathways and gene expression programs responsible for anthocyanin accumulation.

Decoding the Mystery Behind Anthocyanin Biosynthesis in Horticultural Plants

Recent advances in plant molecular biology have shed much light on the complex biosynthesis and regulatory networks underlying anthocyanin production in horticultural plants. Anthocyanins, a prominent class of flavonoid…

I'm always a little skeptical of flavonoid results because they seem to light up every assay but end up having few biological effects.

Side production of methanol always seemed like a credible hypothesis (disclaimer: rarely drink wine).

Engineered flavonoid disrupts mitochondrial AIF/CHCHD4 complex for targeted cancer therapy https://www.biorxiv.org/content/10.1101/2025.03.13.642976v1

Cacao genome sequence reveals insights into the flavonoid biosynthesis https://www.biorxiv.org/content/10.1101/2024.11.23.624982v1 Theobroma cacao is well known for its role in producing cacao. Many different cacao varieties are cu

Cacao genome sequence reveals insights into the flavonoid biosynthesis https://www.biorxiv.org/content/10.1101/2024.11.23.624982v1

Telomere-to-Telomere Genome Assembly of Yellow-Fruited Allotetraploid American Ginseng (Panax quinquefolius L.) Provides Insights into Flavonoid Biosynthesis. #T2T #AmericanGinsengGenome #FlavonoidBiosynthesis #PlantGenomics @horticulturer.bsky.social 🧬
academic.oup.com/hr/advance-a...

Can we learn protein biology from a language model?

In new work led by @liambai.bsky.social and me, we explore how sparse autoencoders can help us understand biology—going from mechanistic interpretability to mechanistic biology.

Boltz-1 & Boltz-2 now live via GUI & APIs! Predict protein, protein–RNA/DNA/ligand structures with confidence scores & binding affinity metrics for virtual screening. Compare finetuned models in the new overview page to find your best performer fast.
www.openprotein.ai/early-access...

A compelling review of how ML/AI could help in the quest to find an enzyme for every reaction.

@jsunn-y.bsky.social @francescazfl.bsky.social Yueming Long @francesarnold.bsky.social

www.cell.com/cell-systems...

Train a protein structure predictor that can handle 29 non-canonical amino acids, then use it to design binders with non-canonical amino acids that reduce immunogenicity.

@panhammarstrom.bsky.social @patrickbryant1.bsky.social

www.biorxiv.org/content/10.1...

Three BioML starter packs now!

Pack 1: go.bsky.app/2VWBcCd
Pack 2: go.bsky.app/Bw84Hmc
Pack 3: go.bsky.app/NAKYUok

DM if you want to be included (or nominate people who should be!)

A Nobel for property-based drug design? [This post was updated on 10-Aug-2025 to mention my review of CNM2025 (Return to Flatland) which  critically examines ( 35 ) (Escape from ...

Are the J Med Chem Editors aware of the observation, usually attributed to Jocelyn Bell Burnett, that it’s better that people ask why you didn’t win a Nobel Prize than why you did? (re-post) #MedChem #cheminformatics #DrugDesign #DrugDiscovery #chemsky 🧪
fbdd-lit.blogspot.com/2024/07/a-no...

I just joined Bluesky as well... let's rebuild the same nice community in the cheminformatics/comp chem/bioinformatics/drug discovery etc. areas that 'the other place' was in the good old days 😊! Looking forward to reconnecting with people here, Andreas

#compchem

#compchem

bsky.app/starter-pack...

Promotional graphic for a case study with a figure of the crystal engineering process showing a) the crystal structure of 1; b) the knowledge-based selection of the ana replacement; c) the crystal structure of 2; d) matching of the molecular positions for 1 and 2.

The melting point of PEG polymer was increased by 30°C with rational co-crystal design, using solid form informatics methods to identify the best substitutions. ✅

Read the full story here🔗: ccdc-info.com/425hEcw

#MaterialsDesign #Cheminformatics #Polymers #ChemSky #CompChemSky

Although polymer informatics tools have supported speedup, polymer simulation protocols continue to face significant challenges: on-demand generation of realistic 3D atomic structures that respect the conformational diversity of polymer structures. [2/7 of https://arxiv.org/abs/2504.17656v1]

POINT$^{2}$: A Polymer Informatics Training and Testing Database
https://arxiv.org/pdf/2503.23491
Jiaxin Xu, Gang Liu, Ruilan Guo, Meng Jiang, Tengfei Luo.