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
When reviewing data to find pharma compounds for virtual screening, we might want to check what their target profiles and rank candidates by how many Lipinski’s rule of five violations they have–the fewer the better. Here, a target profile refers to the set of targets a compound is known to be active against. This post uses the ChEMBL API and a SQLite database to do that.
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
<p xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" class="first" dir="auto" id="d3937788e189">Guanidine alkaloids widely exist in terrestrial microorganisms, peptides, and marine invertebrates, and have a multitude of biological activities. Consequently, these molecules have attracted attention as potential drug leads among chemists and biologists. This review provides an overview of research progress in bioactive guanidine alkaloids since 2012, describing their most important biological properties, including antimicrobial, antiparasitic, antiviral, and anticancer activities. The contents include new compounds reported since 2012 and the biological activities of known compounds reported before 2012. </p>
🔁📄 'Repositioning antivirals against COVID-19: Synthetic pathways, mechanisms, and therapeutic insights.' - a #DrugRepurposing Research article on #ScienceOpen:
➡️ https://www.scienceopen.com/document?vid=86a9a26d-fa33-4c20-8ef2-41c90ddc56fa
#REPO4EU #COVID19Research #Antivirals #MedicinalChemistry #SyntheticChemistry
<p xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" class="first" dir="auto" id="d6481623e211">The pandemic of COVID-19 has ignited a global race to locate effective therapies with drug repositioning emerging as a leading strategy due to its cost-effectiveness and established safety profiles. Remdesivir, Favipiravir, Hydroxychloroquine, and Chloroquine have been the focus of rigorous clinical trials to determine their therapeutic potential against SARS-CoV-2. This article delves into the innovative synthetic strategies behind these drugs, providing a blueprint for researchers navigating the complex landscape of antiviral development. Beyond synthesis, we explore the fascinating mechanisms of action: hydroxychloroquine and chloroquine elevate lysosomal pH to impede autophagy and viral replication; favipiravir, a nucleoside analogue, induces lethal mutagenesis or RNA chain termination and remdesivir disrupts viral RNA synthesis through delayed chain termination. By merging synthetic methodologies with mechanistic insights, this article offers a comprehensive resource aimed at accelerating the development of potent COVID-19 therapies and underscores the crucial part that chemistry in addressing global health emergencies. It also underscores the vital function of chemistry in addressing global health emergencies and highlights how innovative drug design and repurposing can provide rapid responses to emerging infectious diseases. This fusion of chemistry and virology not only advances our understanding of drug action but also paves the way for the discovery of new therapeutic agents crucial in future pandemics. </p>
GDCh Division of Biochemistry
Jeremy Monat
LED3hub
Scientific Frontline
Maciej Spiegel
News Beep
Chemistry Research
CSBJ
ScienceOpen