Alert, this is a proud PI moment. 😃 Our latest paper on novel ligand scaffold and activation mechanism of GPR183 is out in Nature Communications nature.com/articles/s41467-0…

We're hiring!🚨Our lab @SydneyChemistry is looking for two new #chempostdoc for our drug discovery program: 1) Synthetic/Med Chem (small molecule hit-to-lead)🧪 usyd.wd3.myworkdayjobs.com/e… 2) Chemical Biology (peptide inhibitors)🦠 usyd.wd3.myworkdayjobs.com/e… Pls spread the word!🙏

ESMEC 2025 URBINO - European School of Medicinal Chemistry: June 29 – July 3, 2025 Tentative Programme Available and REGISTRATION is nor OPEN! For all the info: esmec.eu We are waiting for you in Urbino! @DCFSCI @EuroMedChem @YoungSciNet @SciGiovani

On the issue 1 cover is work by Sabrina Taliani, Floriana Morgillo, @scoscona & co on the discovery of c-MET/SMO modulators in EGFRi-resistant non-small cell lung cancer, take a look⬇ pubs.rsc.org/en/content/arti… 📍@unicampania @Unipisa Read the full issue👉pubs.rsc.org/en/journals/jou…

Discovering Dually Active Anti-cancer Compounds with a Hybrid AI-structure-based Approach #DrugDiscovery pubs.acs.org/doi/10.1021/acs… @MicheleRoggia99 @ben_nitro93 @amendola_g @jussara_amato @scoscona #JCIM Vol64 Issue21 #PharamceuticalModeling

Our manuscript is now featured on the front cover of @JCIM_JCTC! Huge thanks to the talented @ben_nitro93 and @MicheleRoggia99 for creating this amazing cover art! #MyACSCover @ACS4Authors

Discovering Dually Active Anti-cancer Compounds with a Hybrid AI-structure-based Approach @JCIM_JCTC 1/ In this study, a novel hybrid AI-structure-based approach was developed to identify compounds that can target both G-quadruplex (G4) structures and the poly(ADP-ribose) polymerase (PARP1) enzyme, opening the door to innovative cancer therapies with dual action. 2/ The innovative two-step virtual screening protocol integrates machine learning and structure-based methods. PyRMD, an AI-powered tool, identifies potential PARP1 inhibitors from vast chemical libraries, then evaluates them for their G4 stabilization potential. 3/ By combining AI and structure-based screening, the study identifies four compounds with dual PARP1 inhibition and G4 stabilization activity, offering a multipronged strategy to disrupt cancer cell proliferation. 4/ The identified compounds show significant antiproliferative activity, particularly against cancer cell lines with BRCA1 mutations, suggesting the potential for targeting tumors with DNA repair deficiencies. 5/ One compound, in particular, demonstrated activity against telomerase-positive HeLa cells, hinting at its broader applicability across different cancer types, making it a versatile therapeutic candidate. 6/ This study showcases the potential of hybrid AI-driven approaches in drug discovery, emphasizing the power of combining machine learning with classical structure-based methods to develop multitarget anticancer compounds. @scoscona 📜Paper: doi.org/10.1021/acs.jcim.4c0…

📣 Session 9 – Prof. Sandro COSCONATI from @unicampania is now on the stage for talk titled “From Reversible to Irreversible Peptide Inhibitors of the TRF2TRFH Recruiting Functions: a Strategy to Induce Replication Stress in Cancer Cells”. Stay tuned! 🔬💡 #EFMCISMC24 #MedChem

Next talk in the peptide session at #EFMCISMC24 is given by Sandro Cosconati (@scoscona), describing his strategy to induce replication stress in cancer cells, from reversible to irreversible peptide inhibitors of the TRF2TRFH recruiting functions. @EuroMedChem @DCFSCI

Streamlining Large Chemical Library Docking with Artificial Intelligence: the PyRMD2Dock Approach #Docking #DrugDiscovery pubs.acs.org/doi/10.1021/acs… @MicheleRoggia99 @amendola_g @sadimaro80 @scoscona #JCIM ASAP #ApplicationNote

Take a peek at my cover art accepted for the 21 Dec issue of @CellChemBiol! Gratitude to @AIRC_it for supporting my research and shout-out to fellow authors @hildaApickett, @sadimaro80, and Alex Sobinoff. #drugdiscovery #CancerResearch

Online now! Irreversible inhibition of TRF2TRFH recruiting functions by a covalent cyclic peptide induces telomeric replication stress in cancer cells by Alexander Sobinoff, Salvatore Di Maro, @hildaApickett, @scoscona, et al dlvr.it/SzrGYZ #chembiol