- research
Research areas
At CRAFT, our research areas are the heart of our mission of innovation. From applied artificial intelligence in drug development to advanced structural biology, we combine multidisciplinary expertise and cutting-edge technology.
Artificial Intelligence oriented and Computer-assisted Drug Design approaches
We develop and use artificial intelligence models as well as structure-based drug design (SBDD) and ligand-based drug design (LBDD) strategies for hit identification and hit-to-lead optimization in both target-based and phenotypic-based approaches. We also develop AI and QSAR models for toxicological research and risk assessment of chemicals and our major software tools and models are publicly available in LabMol Insight AI web portal http://insightai.labmol.com.br/
Structural Biology applied to Medicinal Chemistry
At Craft, we specialize in Structural Biology, where we seamlessly blend biophysics, chemistry, and biology to drive advancements in human health. Our mission is to leverage Structural Biology in the pursuit of innovative drug discovery. With a strong focus on Protein Crystallography, Enzyme Kinetics, and Biophysical and Biochemical characterization of protein targets, we employ ligand screening techniques to craft lead compounds. Pioneering X-ray crystallography fragment screening in Brazil, we now spearhead a project aimed at democratizing this technique across the Brazilian scientific community.
Library development and Medicinal Chemistry
We have expertise in synthetic chemistry by designing, planning, synthesizing candidates for an iterative hit-to-lead medicinal chemistry and scaling-up candidates for animal studies. We have also being involved in the synthesis and vectorial functionalization of innovative heterocyclic fragments. The main goals are: Chemotype Library development and management; Synthesis, purification, characterization and registration into databases of designed hits; Iterative hit-to-lead medicinal chemistry; Scaling-up selected candidates for animal studies; Contribute additional ideas for the design and synthesis of analogs that infer greater target selectivity, or have improved properties.
- Additional information
The CRAFT platform aims to position itself as a global leader in the search for treatments for endemic diseases prevalent in Latin America and the Global South, to leverage drug discovery in Brazil and Latin America.
The CRAFT portfolio encompasses the development of libraries of synthetic and natural fragments, structural biology of a wide range of proteins, and compound screening, along with the use of AI and computational methods to guide our drug discovery campaigns.
Our workflow:
- Our focus
Our research focus:
CRAFT's focus is on neglected diseases, viruses, and parasites, such as:
A parasitic disease caused by worms of the genus Schistosoma. It is transmitted by freshwater snails and affects millions of people in tropical and subtropical areas, causing symptoms such as fever, abdominal pain, and diarrhea.
Caused by the parasite Trypanosoma cruzi and mainly transmitted by insects known as "kissing bugs". It is endemic in parts of Latin America and can lead to severe cardiac complications if left untreated.
A disease caused by parasites of the genus Leishmania, transmitted by bites from infected sandflies. There are different forms of leishmaniasis, including cutaneous, mucocutaneous, and visceral, each with characteristic symptoms ranging from skin lesions to damage to internal organs.
Caused by the coronavirus SARS-CoV-2, COVID-19 is a viral respiratory illness that became a global pandemic in 2020. Symptoms range from mild to severe and may include fever, cough, shortness of breath, and loss of smell or taste.
A virus primarily transmitted by Aedes mosquitoes, the Zika virus caused global concern due to its association with neurological complications, such as microcephaly in babies born to mothers infected during pregnancy.
Transmitted by Aedes mosquitoes, chikungunya fever is a viral disease that causes high fever and intense joint pain. Although it is not usually fatal, it can cause debilitating and chronic symptoms in some patients.
Another disease transmitted by Aedes mosquitoes, dengue is characterized by high fever, muscle and joint pain, as well as symptoms such as rash and hemorrhages. It can lead to severe complications, such as severe dengue and hemorrhagic shock.
