Banca de DEFESA: JHEYNNE LAINA ALVES DE LIMA

Uma banca de DEFESA de MESTRADO foi cadastrada pelo programa.
STUDENT : JHEYNNE LAINA ALVES DE LIMA
DATE: 15/05/2026
TIME: 09:00
LOCAL: Google Meet
TITLE:

Similarity-Based Profiling of Hydrazone-Containing Scaffolds Active Against Leishmania Amastigotes

KEY WORDS:

hydrazone scaffolds, leishmaniasis, similarity-based, molecular alignment, drug discovery

PAGES: 45
BIG AREA: Ciências Biológicas
AREA: Biologia Geral
SUMMARY:

This study aims to explore and evaluate the potential of hydrazone-containing scaffolds as therapeutic agents against leishmaniasis, with a specific focus on their activity against intracellular Leishmania amastigotes. By employing a strategy centered on the 3D electrostatic and shape properties (electroform) of the compounds, the structural analysis transcends traditional functional group-based approaches, utilizing molecular alignment techniques to identify key structural features associated with antileishmanial activity. In this context, this work systematically compiled data from previous studies, highlighting compounds with promising in vitro activities. Structural comparisons via molecular superposition allowed for the identification of potent candidates and the exploration of their potential mechanisms of action. The integration of computational and experimental approaches provided valuable insights for the rational optimization of hydrazone scaffolds, aiming to enhance efficacy, bioavailability, and safety. Nevertheless, the comprehensive elucidation of molecular targets and mechanisms of action remains a crucial challenge for future research. In summary, this work underscores the potential of hydrazone-based compounds as a foundation for developing novel therapeutic agents against leishmaniasis, leveraging a shape-based molecular alignment strategy to drive drug discovery efforts.

COMMITTEE MEMBERS:
Externo à Instituição - ROBERTO PARISE FILHO - USP
Externo ao Programa - 1571756 - ALESSANDRO KAPPEL JORDAO - nullPresidente - 1893445 - EUZEBIO GUIMARAES BARBOSA