Funding: European Union — NextGenerationEU through the National Recovery and Resilience Plan of Bulgaria, project BG-RRP-2.004-0004-C01. Principal Investigators/Team Leads: Prof. Alexander Zlatkov; Prof. Virginia Tzankova Summary: Project Summary The project develops novel neuroprotective agents for Parkinson’s disease through in silico design, synthesis, and multi-level evaluation of xanthine derivatives (N-substituted 3-(1,3,7-trimethyl-xanthin-8-ylthio)propanehydrazides) and pyrrole derivatives targeting MAO-B inhibition, antioxidant activity, and neuroprotection. Key approaches include QSAR modeling, molecular docking, ADMET prediction, in vitro assays (HepG2, SH-SY5Y cells; ROS, GSH, MTT), and in vivo toxicity testing. Emphasis on multi-target drug design for complex neurodegenerative diseases, with computational screening yielding 6-36 lead compounds across work packages.
With the support of DEFENDER and consultation by Dr. Thomas Mohr, we obtained and configured a bioinformatics server to enable:
- reproducible omics pipelines
- collaborative analysis environments
- student training on real infrastructure
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