Students develop method to repurpose antivirals for dengue using machine learning
On November 16, 2024, the AI for Global Health Innovation (AI4GHI) Student Summit brought together an inspiring interdisciplinary team to tackle one of the world’s most pressing health challenges. João Lucas Rodrigues Constantino (computer science student, Universidade de São Paulo), formed and led a team consisting of Bruno Rafael Florentino (computer science, Universidade de São Paulo) and Milagros Quispe Mendoza (medicine, Cayetano Heredia Peruvian University).
The team integrated their expertise to present a cutting-edge project titled “An AutoML and XAI Application to Repurpose Antivirals Against the Dengue Virus.” Their ambitious efforts earned them third place for the People’s Innovation Award at the AI4GHI Challenge 2024.
Interdisciplinary Teamwork in Action
The team’s research focuses on using artificial intelligence to repurpose existing antiviral drugs to combat dengue, a disease whose reach has expanded with global warming. Their project stands out not just for its technical ambition but for its truly interdisciplinary approach. Together, the group integrated expertise in medicine, computer science, and molecular sciences to develop a computational tool aimed at accelerating drug discovery.
The tool leverages AutoML (automated machine learning) and XAI (explainable AI) techniques to evaluate protein-ligand interactions, identifying promising candidates for drug repurposing. The system aims to democratize access to in silico drug evaluation, making it easier for pharmaceutical specialists to test potential treatments efficiently and at low cost.
“Working with people from different fields was both fun and challenging,” said Bruno. “Each researcher brought their own expertise and perspective, which enriched our discussions but also required effort to align our ideas into one coherent project.”
Learning Across Disciplines
For team members, the AI4GHI 2024 Student Summit was as much about personal growth as technical achievement. Milagros admitted to finding AI concepts daunting at first but credited her teammates for their patience. “As a medical doctor, understanding AI’s integration with molecular data was a challenge,” she said, “but I discovered how important it is to have a multidisciplinary team. Everyone’s perspective made our idea stronger.”
João added, “Explaining AI concepts to someone new to the field helped me simplify my own understanding. And diving into literature on target-ligand interactions was a steep learning curve, but incredibly rewarding.”
The team also faced practical challenges, including presenting their work in English, a second language for all of them. Despite this, they thrived, overcoming communication barriers and even personal anxieties. “Presenting was tough,” João shared. “But it was fulfilling to step out of my comfort zone.”
Addressing Global Health with AI
The group’s work is more than theoretical. By using predictive modeling and molecular docking, their system could transform the way antiviral drugs are tested, offering a faster, cheaper alternative to traditional methods. With dengue cases rising due to climate change, such innovations are urgently needed.
This project aligns with the summit’s focus on fostering cross-regional and cross-disciplinary collaboration to address global health challenges. For Milagros, this international teamwork was a highlight. “Having teams from different countries and backgrounds enriched the competition,” she said.
Looking Ahead
The team expressed gratitude for the mentorship and collaborative environment provided by the AI4GHI summit. João suggested increasing presentation time in future events, while Milagros advocated for workshops where participants could share their specialties to spark new collaborations.
Bruno summed up the experience: “Competitions like this motivate students to give their best and foster recognition for their work. I’m grateful for the opportunity and excited to see what challenges lie ahead.”
As dengue continues to threaten global health, the brilliance and potential this interdisciplinary team brings shines as a beacon of hope.
🎥 Watch their research video: https://www.youtube.com/watch?v=OXS58ZyrDHM
📄 Read their abstract: https://drive.google.com/file/d/1KmNwTzX-RZJSCgof2TwuRBdgKHWhfb0B/view
Learn more about the amazing work from all our finalists: https://ai4pep.org/ai4ghi-finalists/