Development of a Database of Peptides with Potential for Pharmacological Intervention in Human Pathogen Molecular Targets.




Database, Peptides, Pathogens, In silico, Virtual Screening


Peptides are polymeric chains used as research objects in the search for new drugs with greater efficacy and fewer side effects. Therefore, we created three databases of antimicrobial peptides (GONZALEZ et al., 2023) using PubChem and ChEMBL. First we acquired the Simplified Molecular-Input Line-Entry System (SMILES) of several peptides belonging to different types of pathogens, namely bacteria, viruses, parasites, and fungi. Using the OpenBabel software, these SMILES had their file formats and structures converted to create: one database in one dimension SMI format, and two with three-dimensional MOL2 and PDB file formats. In total the three databases consists of 718 peptides that have been shown to possess inhibtory activity on molecular targets of clinically important pathogens.


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How to Cite

GONZALEZ, M. da S. P. .; CHEOHEN, C. .; ANDRIOLO, B. V.; DA SILVA, M. L. Development of a Database of Peptides with Potential for Pharmacological Intervention in Human Pathogen Molecular Targets. Latin American Data in Science, [S. l.], v. 3, n. 1, p. 16–21, 2023. DOI: 10.53805/lads.v3i1.63. Disponível em: Acesso em: 1 mar. 2024.

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