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Review

Review on Compounds Isolated from Eriocaulaceae Family and Evaluation of Biological Activities by Machine Learning

by
Laysa Lanes Pereira Ferreira Moreira
1,
Renata Priscila Barros de Menezes
2,
Luciana Scotti
2,
Marcus Tullius Scotti
2,
Valdemar Lacerda Júnior
1 and
Warley de Souza Borges
1,*
1
Post-Graduate Program in Chemistry, Federal University of Espírito Santo, Av. Fernando Ferrari, 514, Vitória 29075-910, Brazil
2
Post-Graduate Program in Natural Synthetic Bioactive Products, Federal University of Paraiba, R. Table Stanislau Eloy, 41—Conj. Pres. Castelo Branco III, João Pessoa 58050-585, Brazil
*
Author to whom correspondence should be addressed.
Molecules 2022, 27(21), 7186; https://doi.org/10.3390/molecules27217186
Submission received: 17 September 2022 / Revised: 12 October 2022 / Accepted: 18 October 2022 / Published: 24 October 2022
(This article belongs to the Special Issue Antioxidant, Antimicrobical and Anticancer Activity of Natural Product and Their Derivatives)
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Abstract

Eriocaulaceae is a pantropical family whose main center of biodiversity is in Brazil. In general, the family has about 1200 species, in which phytochemical and biological studies have shown a variety of structures and activities. The aim of this research is to compile the compounds isolated in the Eriocaulaceae family and carry out a computational study on their biological targets. The bibliographic research was carried out on six databases. Tables were built and organized according to the chemical class. In addition, a summary of the methods of isolating the compounds was also made. In the computational study were used ChEMBL platform, DRAGON 7.0, and the KNIME 4.4.0 software. Two hundred and twenty-two different compounds have been isolated in sixty-eight species, divided mainly into flavonoids and naphthopyranones, and minor compounds. The ligand-based virtual screening found promising molecules and molecules with multitarget potential, such as xanthones 194, 196, 200 and saponin 202, with xanthone 194 as the most promising. Several compounds with biological activities were isolated in the family, but the chemical profiles of many species are still unknown. The selected structures are a starting point for further studies to develop new antiparasitic and antiviral compounds based on natural products.
Keywords: Eriocaulaceae; multitarget potential; ligand-based virtual screening; flavonoids; naphthopyranones; xanthones Eriocaulaceae; multitarget potential; ligand-based virtual screening; flavonoids; naphthopyranones; xanthones
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MDPI and ACS Style

Moreira, L.L.P.F.; de Menezes, R.P.B.; Scotti, L.; Scotti, M.T.; Lacerda Júnior, V.; Borges, W.d.S. Review on Compounds Isolated from Eriocaulaceae Family and Evaluation of Biological Activities by Machine Learning. Molecules 2022, 27, 7186. https://doi.org/10.3390/molecules27217186

AMA Style

Moreira LLPF, de Menezes RPB, Scotti L, Scotti MT, Lacerda Júnior V, Borges WdS. Review on Compounds Isolated from Eriocaulaceae Family and Evaluation of Biological Activities by Machine Learning. Molecules. 2022; 27(21):7186. https://doi.org/10.3390/molecules27217186

Chicago/Turabian Style

Moreira, Laysa Lanes Pereira Ferreira, Renata Priscila Barros de Menezes, Luciana Scotti, Marcus Tullius Scotti, Valdemar Lacerda Júnior, and Warley de Souza Borges. 2022. "Review on Compounds Isolated from Eriocaulaceae Family and Evaluation of Biological Activities by Machine Learning" Molecules 27, no. 21: 7186. https://doi.org/10.3390/molecules27217186

APA Style

Moreira, L. L. P. F., de Menezes, R. P. B., Scotti, L., Scotti, M. T., Lacerda Júnior, V., & Borges, W. d. S. (2022). Review on Compounds Isolated from Eriocaulaceae Family and Evaluation of Biological Activities by Machine Learning. Molecules, 27(21), 7186. https://doi.org/10.3390/molecules27217186

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