I share our work introducing Structure–Property Associations (SPA) — a concept with strong potential in #MedChem and #DrugDesign.

Link: doi.org/10.1002/cmdc...

Huge thanks to my mentors @jose-difacquim.bsky.social and Karina, who first envisioned this paradigm shift.

@chemistryeurope.bsky.social

Together with @edgarlopez2.bsky.social, Karina Martinez and J. Israel, we share the concept Structure–Property Associations (SPA) : Breaking Paradigms for Linking Chemical Structures and Biological Properties in Drug Discovery - ChemMedChem chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/...

Amidst the breathtaking autumn of Nara, I feel deeply honored, grateful, and happy for the invitation to present part of our work at DIFACQUIM, UNAM, during the 9th Autumn School of Chemoinformatics, organized by Prof. Kimito Funatsu.

Happy to participate at the at the I Symposium on Drug Discovery and Development organized by Universidad del Desarrollo in Santiago de Chile. Very pleased to know in person Alan Talevi from Argentina and listed to his talk.

Thank you very much Dr. Emanuele Carosati for organizing and putting together such a great event. I’m truly grateful for the warm hospitality.
It was both an honor and a pleasure to be part of the event on behalf of the DIFACQUIM research group.
www.linkedin.com/pulse/naviga...

Natural Products Repository of Costa Rica (NAPRORE-CR): An Open-Access Database | Journal of Chemical Information and Modeling pubs.acs.org/doi/10.1021/...

Alert of new paper ⚠️🚨

A First-in-Class Discovery: Covalent and ROS-Activated Microtubule Polymerization Inhibitors for a New Era of Selective Anticancer Drugs 💊🥳👉✨

doi.org/10.1111/cbdd...

#CovalentDrugs #DrugDesign

@wiley.com
@jose-difacquim.bsky.social

Exploiting PubChem and other public databases for virtual screening in 2025: what are the latest trends? www.tandfonline.com/doi/full/10....

Re-sharing a holistic perspective of #chemicalspace of bioactive compounds with applications in #medicinalchemistry, #agrochemistry, #sensorychemistry (odor and flavor), #foodscience, and #naturalproducts
www.frontiersin.org/journals/dru...
Kudos to ‪@edgarlopez2.bsky.social‬ and colleagues.

✨ Thanks to @jose-difacquim.bsky.social for the great support!! 🚀

🚀 New publication! “On the Biologically Relevant Chemical Space”

BioReCS: A subset of the chemical universe—shaped by active, inactive, and even toxic molecules.

👉 Read more: www.frontiersin.org/journals/dru...

#DrugDiscovery #ChemicalSpace #MedChem #AI #Chemoinformatics

Thrilled to be appointed Associate Editor for the @springernature.com Journal of Computer-Aided Molecular Design. link.springer.com/journal/10822

Is the chemical space diversifying or just growing?👀👉✨ To answer this question, I invite you to read our latest work!

Thanks to @groupquintana.bsky.social and @jose-difacquim.bsky.social for the great collaboration!! #JCIM

doi.org/10.1021/acs....

Sharing the synthesis of 20 new amine-type cyclopentanepyridinone derivatives as HIV-1 NNRTIs. Lead compound 9 showed potent anti-HIV activity and low cytotoxicity, with docking and MD studies suggest strong RT binding. #HIVresearch #DrugDiscovery @pubs.acs.org pubs.acs.org/doi/10.1021/...

Very excited about this!

I feel truly blessed and deeply honored to have been selected as a "Nobel Alumni" at the Lindau Nobel Laureate Meeting 2025 (#LINO25).

I am also excited to have had the opportunity to present my research during the "Open Next Generation Science" sessions—it has been an extraordinary experience!

Sharing an #openaccess #compound #database of #naturalproducts: @pubs.acs.org
Latin American Natural Product Database (LANaPDB): An Update | Journal of Chemical Information and Modeling pubs.acs.org/doi/10.1021/...

Sharing the special collection Milestones in Cheminformatics published in the Journal of Cheminformatics.
jcheminf.biomedcentral.com/articles/10.....