30/05/2026
Sharing Edgar López-López post. Very happy for the collaboration 🇸🇪 🇲🇽
🥳👍🎉 Excited to share our new article published in Drug Discovery Today:
“Benign-by-design chemistry: Reinventing ligand-based drug design at the edge of AI”
is transforming drug discovery far beyond traditional potency-driven approaches. In this work, we discuss how AI, multiobjective optimization, network pharmacology, and benign-by-design principles can help develop safer, more sustainable, and environmentally responsible therapeutics.
The article explores:
🧠 AI-enhanced ligand-based drug design
🌍 One Health and environmental sustainability
⚗️ Multiobjective molecular optimization
🔬 Self-driving laboratories and autonomous discovery
📊 Integration of chemical, biological, clinical, and ecological data
We propose a future where efficacy, safety, and sustainability are considered simultaneously from the earliest stages of molecular design.
🔗 https://doi.org/10.1016/j.drudis.2026.104691
A big thank you to all collaborators involved in this work! Jose Luis Medina-Franco Pamela Estrada Angel Neftali
Diana Avila and Ola Spjuth.
