Phytochemical analysis, in vitro antioxidant and anticholinesterase activities of Solanum paniculatum L. and an in-silico test with the AChE enzyme

•The four extracts were prepared from the leaves and barks of S. paniculatum.•Phytochemical prospecting qualitatively determined the presence of eight classes of secondary metabolites.•Spinasterol isolation can be proven by NMR and infrared techniques.•Antioxidant activity was determined by DPPH and...

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Published in:	South African journal of botany Vol. 156; pp. 342 - 351
Main Authors:	da Silva, João Paulo Rodrigues, Aragão, Adriane da Cunha Rios, dos Santos Sousa Junior, Ronaldo, Crisóstomo Bezerra Costa, Clara Andrezza, da Silva Moura, Orlando Francisco, Araújo, Thaís Danyelle Santos, da Silva, Durcilene Alves, da Silva Neto, Antonio Rodrigues, Silva, Kessia da Costa, Lopes, Tatiana de Oliveira, Mourão, Penina Sousa, Nascimento e Sousa, Lorena Thayla, Lima, Francisco das Chagas Alves, Rai, Mahendra, de Freitas, Johnnatan Duarte, Feitosa, Chistiane Mendes, e Silva Filho, Francisco Arthur, Uchôa, Valdiléia Teixeira
Format:	Journal Article
Language:	English
Published:	Elsevier B.V 01-05-2023
Subjects:	Acetylcholinesterase Antioxidant activity Phytochemical prospection Spinasterol Phytochemical prospection ACh FSP-1 Núcleo Interinstitucional de Estudo e Geração de Novas Tecnologias (GERATEC CENAUREMN-UFC TLC Acetylcholinesterase Spinasterol SisGen EEFS EHFS NPBio IC50 HPLC AChE Rt DPPH Antioxidant activity IAA GC-MS EECS LABIMOBI NMR EHCS UV–Vis DA ABTS
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Summary:	•The four extracts were prepared from the leaves and barks of S. paniculatum.•Phytochemical prospecting qualitatively determined the presence of eight classes of secondary metabolites.•Spinasterol isolation can be proven by NMR and infrared techniques.•Antioxidant activity was determined by DPPH and ABTS radical capture techniques.•Inhibition of the AChE enzyme was quite efficient for two extracts. Solanum paniculatum L, popularly known in Brazil as Jurubeba, is used in traditional medicine to treat diseases such as common cold, kidney and liver ailments, and even diabetes. The objective of this work was to produce ethanolic and hexane extracts from the stem bark and leaves of S. paniculatum; perform phytochemical analysis; assess their antioxidant, anticholinesterase activities, and structure-activity relationship of the identified compounds with AChE enzyme by molecular docking. The phytochemicals present in the extracts were analyzed by phytochemical prospection techniques. The analysis demonstrated the presence of alkaloids, saponins, flavonoids, triterpenes, tannins, coumarins, steroids, and anthraquinones in the extract. Through TLC, the hexane extract of S. paniculatum leaves (EHFS) was found to be more promising than the filter chromatography in reach the FSP-1 fraction, analyzed by 1H NMR, 13C, and infrared techniques, resulting in the isolation of spinasterol, an important plant steroid. HPLC analysis determined the presence of catechin, epicatechin, chlorogenic acid, salicylic acid, and syringaldehyde. The antioxidant activity (DPPH and ABTS) presented excellent results for the ethanolic extracts of leaves (EEFS) for both radicals corresponding to 18.36 ± 0.71 (ABTS) and 33.46 ± 2.64 (DPPH), and moderate activity for ethanolic extracts of bark (EECS) 26.07 ± 1.24 (ABTS) and 51.88 ± 3.12 (DPPH). These results may be related to the presence of many phenolic compounds in the extracts. The acetylcholinesterase enzyme inhibition test showed strong activity for EECS and EHFS with inhibition of 71.49% and 70.05%, respectively, and moderate activity for EEFS and hexane extract of bark (EHCS) with 34.84% and 32.50%, respectively. Among the complexes obtained in the insilico study of structural activity, the complex with the compound 1H23/spinasterol presented better energy and constant interaction. Therefore, this study revealed the broad potential of S. paniculatum as a possible herbal medicine and helped to scientifically understand its composition and activity.
ISSN:	0254-6299 1727-9321
DOI:	10.1016/j.sajb.2023.03.024