Sustainable use of Brazilian biodiversity: using Linked Data for natural product discovery

• Grant number: 20/11967-3
• Support Opportunities: Regular Research Grants
• Start date: August 01, 2021
• End date: July 31, 2025
• Field of knowledge: Physical Sciences and Mathematics - Chemistry - Organic Chemistry
• Agreement: DFG
• Principal Investigator: Vanderlan da Silva Bolzani
• Grantee: Vanderlan da Silva Bolzani
• Principal researcher abroad: Thomas Riechert
• Institution abroad: Leipzig University of Applied Sciences , Germany
• Host Institution: Instituto de Química (IQ). Universidade Estadual Paulista (UNESP). Campus de Araraquara. Araraquara , SP, Brazil
• City of the host institution: Araraquara
• Associated researchers: Adriano Defini Andricopulo ; Alan Cesar Pilon ; Edgard Luiz Marx ; João Victor da Silva e Silva ; Marilia Valli
• Associated research grant(s): 22/08333-8 - Accelerating natural product discovery, AP.R
• Associated scholarship(s): 24/13504-1 - Integration and linking of the Brazilian Biodiversity Natural Products Database with chemical-biology datasets, BP.TT; 24/13507-0 - Integration of data sets and website of the Database of Natural Products from the Brazilian Biodiversity, BP.TT

Abstract

This project involves the update of NuBBE Database semantic web for interoperability and metadata analysis of natural products. The biodiversity of tropical environments offers a particularly valuable potential in chemical diversity of natural products, the most traditional source for the development of new drugs. The NuBBE Database (NuBBEDB) is the first natural product library from Brazilian biodiversity, and has been recognized as an important source of information for several areas of studies. Currently, this database contains more than 2200 compounds, freely accessible online and provides valuable data such as chemical, spectral, biological, taxonomic, geographic and pharmacological information. This database is a useful research tool not only for scientific purposes but could also assist in decision-making, support public policies, private investments as well as, encouraging the preservation and sustainable use of the Brazilian biodiversity. In this project, we aim to research the aspects related to creating and managing chemical knowledge graphs to facilitate information access and sharing, as well as its use in applied machine learning. To achieve this goal, we propose to increase the organization of NuBBEDB database using taxonomies and ontology and to integrate it with other databases to cross information. The use of this enriched information will be important to drug discovery inspired in natural products, as well as increase community awareness of natural resource values and their sustainable use. (AU)

Scientific publications

(7)

(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)

VALLI, MARILIA; DOERING, THIAGO H.; MARX, EDGARD; FERREIRA, LEONARDO L. G.; MEDINA-FRANCO, JOSE L.; ANDRICOPULO, ADRIANO D.. Neglected Tropical Diseases: A Chemoinformatics Approach for the Use of Biodiversity in Anti-Trypanosomatid Drug Discovery. BIOMOLECULES, v. 14, n. 8, p. 19-pg., 2024-08-01. (20/11967-3, 14/50926-0, 19/05967-3, 22/08333-8, 13/07600-3)

GOMEZ-GARCIA, ALEJANDRO; JIMENEZ, DANIEL A. ACUNA; ZAMORA, WILLIAM J.; BARAZORDA-CCAHUANA, HARUNA L.; CHAVEZ-FUMAGALLI, MIGUEL A.; VALLI, MARILIA; ANDRICOPULO, ADRIANO D.; BOLZANI, VANDERLAN DA S.; OLMEDO, DIONISIO A.; SOLIS, PABLO N.; et al. Navigating the Chemical Space and Chemical Multiverse of a Unified Latin American Natural Product Database: LANaPDB. PHARMACEUTICALS, v. 16, n. 10, p. 21-pg., 2023-10-01. (20/11967-3, 14/50926-0, 19/05967-3, 22/08333-8, 13/07600-3)

ALVES, NATALIA FELIX; RIBEIRO, DAYANE CASTRO; MANNOCHIO-RUSSO, HELENA; QUEIROZ, SUZANA APARECIDA SILVA; ZOCOLO, GUILHERME JULIAO; BOLZANI, VANDERLAN DA SILVA; VALLI, MARILIA. Advanced Glycation End Products Inhibitors from Talisia esculenta. REVISTA VIRTUAL DE QUIMICA, v. N/A, p. 7-pg., 2023-04-24. (20/11967-3, 13/07600-3, 14/50926-0, 19/05967-3)

GOMEZ-GARCIA, ALEJANDRO; JIMENEZ, DANIEL A. ACUNA; ZAMORA, WILLIAM J.; BARAZORDA-CCAHUANA, HARUNA L.; CHAVEZ-FUMAGALLI, MIGUEL A.; VALLI, MARILIA; ANDRICOPULO, ADRIANO D.; BOLZANI, VANDERLAN DA S.; OLMEDO, DIONISIO A.; SOLIS, PABLO N.; et al. Latin American Natural Product Database (LANaPDB): An Update. JOURNAL OF CHEMICAL INFORMATION AND MODELING, v. 64, n. 22, p. 15-pg., 2024-11-06. (20/11967-3, 14/50926-0, 22/08333-8, 13/07600-3)

ESPINOZA-CHAVEZ, ROCIO MARISOL; REZENDE JUNIOR, CELSO DE OLIVEIRA; DE SOUZA, MARIANA LAUREANO; CHELUCCI, RAFAEL CONSOLIN; MICHELAN-DUARTE, SIMONE; KROGH, RENATA; FERREIRA, LEONARDO LUIZ GOMES; VALLI, MARILIA; DE OLIVEIRA, ALDO SENA; ANDRICOPULO, ADRIANO D.; et al. Structure-Metabolism Relationships of Benzimidazole Derivatives with anti-Trypanosoma cruzi Activity for Chagas Disease. CHEMMEDCHEM, v. 19, n. 20, p. 21-pg., 2024-08-27. (18/14268-9, 13/25658-9, 20/11967-3, 14/50926-0, 19/05967-3, 15/50655-9, 22/08333-8, 13/07600-3, 15/09080-2)

DA SILVA, WALACE BRENO; HISPAGNOL, GABRIEL FELIPE; NUNES, EMANUEL VICTOR DOS SANTOS; CASTRO-GAMBOA, IAN; PILON, ALAN CESAR. Plant Sample Preparation for Metabolomics, Lipidomics, Ionomics, Fluxomics, and Peptidomics. SEPARATIONS, v. 12, n. 2, p. 21-pg., 2025-02-01. (19/15889-0, 20/02207-5, 14/50926-0, 20/11967-3)

CALEMI, DEBORA BRESSANIM DE AQUINO; GODOI, ALEXANDRE BARCIA; MINUTI, GIULIA; NETO, FAUSTO CARNEVALE; HISPAGNOL, GABRIEL FELIPE; PILON, ALAN CESAR; COSTA, JOSE LUIZ; HYSLOP, STEPHEN; ANTUNES, NATALICIA DE JESUS. Evaluation of Violacein Metabolic Stability and Metabolite Identification in Human, Mouse, and Rat Liver Microsomes. PHARMACEUTICS, v. 17, n. 5, p. 28-pg., 2025-05-02. (20/02207-5, 20/11967-3, 14/50867-3, 23/07323-1)