Data Management Plan for the Focused library comprising bioisosteres of hydrolytic transition state of aspartic protease

The project integrates experimental and computational techniques, including computer-aided drug design (CADD), organic synthesis, and structural biology, to develop new inhibitors of plasmepsin V (plm V) for antimalarial drugs. The DMP will ensure that all research data is handled in accordance with FAIR principles (Findable, Accessible, Interoperable, and Reusable), promoting open access to scientific findings.

Key components of the DMP include:

Data Collection: Data generated from computational drug design, organic synthesis, enzymatic assays, and structural studies will be systematically collected and documented.

Data Storage and Backup: All data will be securely stored in institutional databases, and backed up regularly on secure servers provided by the Latvian Institute of Organic Synthesis (LIOS) to prevent data loss.

Data Sharing: Research data, including structural data (e.g., Protein Data Bank [PDB] entries) and experimental results, will be shared via public repositories such as Zenodo for general data, PDB for structural data, and GitHub for any software/code generated during the project. Open-access publishing will be pursued for scientific publications.

Metadata and Documentation: All datasets will be accompanied by comprehensive metadata describing experimental conditions, data formats, and methodologies to ensure reusability.

Ethics and Intellectual Property: The project will follow LIOS guidelines for intellectual property management, ensuring proper licensing and ethical considerations in data use.

Data Retention: Data will be stored for at least five years after the project’s conclusion to allow for further use and validation.

This DMP aims to enhance research transparency, facilitate collaboration, and contribute to advancements in antimalarial drug discovery.