José L. Medina-Franco

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? Cheminformatics has become a cornerstone of modern drug discovery, offering the ability to efficiently manage and analyze large volumes of chemical and biological data. Publicly available databases...

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

Thank you very much.

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

Growth vs Diversity: A Time-Evolution Analysis of the Chemical Space It is well-known that the number of compounds (both synthesized and theoretical ones) is rapidly increasing. Hence, it would be obvious to affirm that the chemical space is expanding. However, is the ...

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....

Design, Synthesis, and Biological Activity of Amine-Type Cyclopentanepyridinone Derivatives as HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors Non-nucleoside reverse transcriptase inhibitors (NNRTIs) targeting human immunodeficiency virus (HIV) frequently exhibit suboptimal pharmacological properties and are often compromised by drug-resista...

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!

Latin American Natural Product Database (LANaPDB): An Update Natural product (NP) databases are crucial tools in computer-aided drug design (CADD). Over the past decade, there has been a worldwide effort to assemble information regarding natural products (NPs) ...

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/...

Milestones in cheminformatics - Journal of Cheminformatics

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