⚛️ Can we design drugs that stabilize biomolecular interactions instead of blocking them?

🔗 In Silico Analysis of Potential Stabilizer Binding Sites at Protein–RNA Interfaces. Computational and Structural Biotechnology Journal (CSBJ). DOI: https://doi.org/10.34133/csbj.0016

📚 CSBJ - A Science Partner Journal: https://spj.science.org/journal/csbj

#StructuralBiology #DrugDiscovery #ComputationalBiology #RNA #MolecularBiology #Bioinformatics #DrugDesign #SystemsBiology #MedicinalChemistry

Interesting talk by Clemens Richert at #Biochemistry2026. He talked about "Nucleoside Phosporamidates with Roles in Chemical Biology and Medicinal Chemistry".

#Virus #RNA #Nucleotides #Biochemistry #Chemistry #ChemBio #MedChem #MedicinalChemistry
CC: @gdch

New Blog Post: Prioritizing Drug-Like 💊 ChEMBL Compounds Within Target 🎯 Profiles

In this post, I go through how to use the #Python #ChEMBL #API and #SQLite to:
• Retrieve compound and target activity data programmatically
• Build a local database of molecules and their associated targets
• Rank compounds based on Lipinski Rule of Five violations

Read it at https://bertiewooster.github.io/2026/01/05/ChEBML-database.html. Marimo and Jupyter notebooks too!

#cheminformatics #drugDiscovery #chemistry #medChem #medicinalChemistry

New preprint from our LED3 hub, now on ChemRxiv!

The labs of Sebastian Pomplun, Gerard van Westen and Laura Heitman at the Leiden Academic Centre for Drug Research with first author Sean M. McKenna present COMBINAUT: an automated parallel synthesis platform enabling rapid access to a 22.9M-member synthetically accessible chemical space for fast validation of virtual screening hits.

https://chemrxiv.org/doi/full/10.26434/chemrxiv.15000200/v1

#DrugDiscovery #Automation #VirtualScreening #MedicinalChemistry #HitDiscovery

Good news! 🏆 I’ve been awarded my second consecutive research grant from Wroclaw Medical University for the project: "New heterocyclic Pt(II) derivatives in cancer therapy."

I’m using ab initio methods (DFT/MD) to model DNA intercalation and hydration, followed by synthesis of lead complexes. My goal is to develop a predictive tool to simplify drug design based on structural descriptors. 🧪💻

#MedicinalChemistry #DrugDiscovery #CompChem #ResearchGrant #Oncology

2025 FDA approvals

Drug developers secured approvals for 46 new therapeutic agents from the FDA’s Center for Drug Evaluation and Research…
#NewsBeep #News #Topstories #Biomedicine #Biotechnology #CancerResearch #General #Headlines #MedicinalChemistry #Molecularmedicine #Pharmacology/Toxicology #TopStories
https://www.newsbeep.com/346077/

PKMYT1 is a promising target for #cancer #drug developmenent. While some inhibitors such as RP-6036 are available for some time, researchers from InSilico #Medicine have now introduced a novel #PROTAC degrader based on their computational design of a novel inhibitor. This study was now published in #Nature Communications (2025):
https://www.nature.com/articles/s41467-025-65796-8

#drugdesign #chemistry #MedicinalChemistry #research #science

🧩 The future of drug discovery may depend on how well we understand PROTAC-driven protein partnerships.

🔗 Mapping the energy landscape of PROTAC-mediated protein-protein interactions. Computational and Structural Biotechnology Journal, DOI: https://doi.org/10.1016/j.csbj.2023.02.049

📚 CSBJ: https://www.csbj.org/

#StructuralBiology #PROTAC #DrugDiscovery #ComputationalBiology #ProteinEngineering #ProteinDegradation #Biopharma #MedicinalChemistry #TargetedTherapies #AIinBiotech #MolecularModeling

#ActaMateriaMedica: 'Biologically active guanidine alkaloids' - an article on #ScienceOpen 🔓📄🔗 https://www.scienceopen.com/hosted-document?doi=10.15212/AMM-2024-0088

#GuanidineAlkaloids #NaturalProducts #DrugDiscovery #MarineNaturalProducts #MedicinalChemistry