Translational Drug Discovery for Neglected Tropical Diseases through Integrated Experimental and In Silico Approaches.

• Grant number: 25/10671-7
• Support Opportunities: Scholarships in Brazil - Doctorate (Direct)
• Start date: August 01, 2025
• End date: July 31, 2027
• Field of knowledge: Biological Sciences - Biophysics - Molecular Biophysics
• Principal Investigator: Adriano Defini Andricopulo
• Grantee: Luisa Marques Pimentel
• Host Institution: Instituto de Física de São Carlos (IFSC). Universidade de São Paulo (USP). São Carlos , SP, Brazil
• Associated research grant: 13/07600-3 - CIBFar - Center for Innovation in Biodiversity and Drug Discovery, AP.CEPID

Abstract

Chemical compounds of synthetic origin have been consolidating themselves as promising alternatives in the search for new therapeutic agents, especially in neglected areas of medicine. Studies indicate that both synthetic and natural compounds have great potential as sources of new drugs for the treatment of leishmaniasis and Chagas disease (Ortiz-Pérez et al., 2021), with approximately 45% of the antiparasitic drugs approved by the FDA between 1981 and 2019 being of synthetic origin (Newman and Cragg, 2020). These diseases are part of the group of Neglected Tropical Diseases (NTDs), which affect millions of people in low-income tropical and subtropical regions. The therapies currently available for these diseases have limited efficacy, significant adverse effects, and face the aggravating factor of the emergence of resistant strains. In view of this scenario, this project proposes an integrated approach that combines in vitro phenotypic screenings with computational strategies, such as molecular modeling and virtual screening, aiming at the identification and characterization of compounds with antiparasitic activity, low cytotoxicity and physicochemical and pharmacokinetic properties compatible with the desirable requirements for drug candidates. This integration of methodologies aims to accelerate the discovery of new drug candidates and provide a solid basis for the rational development of more effective and safe therapies against kinetoplastid parasites. (AU)