Volatile components, pharmacological profile, and computational studies of essential oil from Aegle marmelos (Bael) leaves: A functional approach

Mahomoodally, Mohamad Fawzi; Mollica, Adriano; Stefanucci, Azzurra; Aumeeruddy, Muhammad Zakariyyah; Poorneeka, Ramjuttun; Zengin, Gökhan

doi:10.1016/j.indcrop.2018.09.054

Cited by 71 publications

(34 citation statements)

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“…In the current work, radical scavenging, reducing power, and metal chelating assays were used to assess the antioxidant properties of B. speciosa stem bark extracts. This approach is believed to provide more accurate and comprehensive information regarding the antioxidant potential of herbal extracts [34]. The methanol extract was the most active in phosphomolybdenum assay, followed by the water and the ethyl acetate extracts ( Table 3).…”

Section: Resultsmentioning

confidence: 99%

Bridelia speciosa Müll.Arg. Stem bark Extracts as a Potential Biomedicine: From Tropical Western Africa to the Pharmacy Shelf

et al. 2020

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Bridelia species have been used in traditional African medicine for the management of diverse human ailments. In the current work, the detailed phytochemical profiles of the extracts of the stem bark of B. speciosa were evaluated and the antioxidant and enzyme inhibitory properties of the extracts were assessed. The anti-bacterial and anti-mycotic effects of the extracts were evaluated against selected pathogen strains. Additionally, the anti-proliferative effects were studied on the liver cancer HepG2 cell line. Finally, the putative protective effects were assessed on isolated rat liver that was challenged with lipopolysaccharide (LPS). The results revealed the presence of 36 compounds in the ethyl acetate extract, 44 in the methanol extract, and 38 in the water extract. Overall, the methanol extract showed the highest antioxidant activity, particularly in LPS-stimulated rat liver. Additionally, this extract exerted the highest antimycotic effect on C. albicans, whereas the water extract showed a promising anti-proliferative effect on liver cancer HepG2 cells. The methanol extract was also the most active as enzyme inhibitor, against acetylcholinesterase and butyrylcholinesterase. The current study appraises the antioxidant and enzyme inhibition properties of B. speciosa methanol extract and showed that this specie could be a promising source of biologically active phytochemicals, with potential health uses. Supplementary Materials: The following are available online at http://www.mdpi.com/2076-3921/9/2/128/s1. Supplementary Materials and Methods; CFF-strains. Author Contributions: Conceptualization, C.F. and G.Z.; methodology, G.O.; L.M.; software, L.M.; validation,: C.F.; G.Z.; L.M.; G.O.; formal analysis, C.F.; G.Z.; investigation, K.I.S.; K.B.; S.L.; L.R.; A.C. (Annalisa Chiavaroli); S.V.; P.A.; V.H.; S.C.; R.V.; L.D.L.; A.C. (Alessandro Cama); M.C.N.P.-A.; Z.C.; J.J.; M.F.M.; resources, C.F.; G.O.; L.M.; data curation, C.F.; G.Z.; writing-original draft preparation, M.F.M.; writing-review and editing, C.F., G.Z.; G.O.; L.M.; visualization, L.B.; supervision, L.B.; project administration, C.F.; L.M.; G.O.; G.Z.; funding acquisition, C.F.; G.O.; L.M. All authors have read and agreed to the published version of the manuscript.

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Section: Resultsmentioning

confidence: 99%

Bridelia speciosa Müll.Arg. Stem bark Extracts as a Potential Biomedicine: From Tropical Western Africa to the Pharmacy Shelf

et al. 2020

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“…The enzymes have been prepared for docking by PrepWizard (Sastry, Adzhigirey, Day, Annabhimoju, & Sherman, 2013) tool embedded in Maestro 2015 (Shroedinger, 2015). All the missing fragments and other errors present in the crystal structures were automatically solved and the hydrogens were added and minimized following the general method previously reported by our previous papers (Mahomoodally et al, 2018;Mocan, Zengin, Crisan, & Mollica, 2016;Mocan et al, 2017) with the use of OPLS3 force field (Harder et al, 2016). All the missing fragments and other errors present in the crystal structures were automatically solved and the hydrogens were added and minimized following the general method previously reported by our previous papers (Mahomoodally et al, 2018;Mocan, Zengin, Crisan, & Mollica, 2016;Mocan et al, 2017) with the use of OPLS3 force field (Harder et al, 2016).…”

Section: Enzymes Preparationmentioning

confidence: 99%

“…This software was used to neutralize the macromolecules at pH 7.4 by PROPKA (Shelley et al, 2007) to convert the seleno-cysteines and seleno-methionines, if present, respectively, to cysteines and methionines and to fix other errors present in the raw structure of the enzymes. All the missing fragments and other errors present in the crystal structures were automatically solved and the hydrogens were added and minimized following the general method previously reported by our previous papers (Mahomoodally et al, 2018;Mocan, Zengin, Crisan, & Mollica, 2016;Mocan et al, 2017) with the use of OPLS3 force field (Harder et al, 2016).…”

Section: Enzymes Preparationmentioning

confidence: 99%

Chemical profile, antiproliferative, antioxidant, and enzyme inhibition activities and docking studies of Cymbopogon schoenanthus (L.) Spreng. and Cymbopogon nervatus (Hochst.) Chiov. from Sudan

et al. 2019

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Essential oils from the inflorescence of Cymbopogon schoenanthus and C. nervatus growing in Northern Sudan were examined for their chemical composition, antiproliferative activity against human breast carcinoma and human colon adenocarcinoma cell lines, antioxidant activity (phosphomolybdenum, antiradical, reducing power, and ferrous chelating), and enzyme inhibition activity against acetylcholinesterase butyrylcholinesterase, tyrosinase, α-glucosidase, and α-amylase. In silico study on the inhibition of tyrosinase and α-amylase was also performed. Piperitone (59.1%) andisomers of para-menthadienols (35.3%) were the main compounds in C. schoenanthus and C. nervatus oils, respectively. Oil from C. nervatus possessed higher antioxidant activity than that from C. schoenanthus except for its metal chelating ability.Both oils showed high antiproliferative activity. In silico study showed that transp-mentha-2,8-dien-1-ol and piperitone (both isomers) revealed the best docking scores for α-amylase and tyrosinase, respectively. In conclusion, oils from these two Cymbopogon species could be new natural agents with functional properties for food, cosmetics, and pharmaceutical industries. Practical applicationsRecently, there is a growing tendency to replace synthetic oils by natural ones in the cosmetic, food, and pharmaceutical products. In this context, we investigated the chemical characterization and biological activities of two Cymbopogon species essential oils (C. schoenanthus (L.) Spreng. and C. nervatus). Antioxidant capacity, enzyme inhibition, and antiproliferative effects were tested for biological activities. Chemical characterization was identified by GC-MS. Based on our findings, the Cymbopogon species may be utilized as sources of natural bioactive agents in food industries. K E Y W O R D Santioxidant, antiproliferative, chemical profile, Cymbopogon, enzyme inhibition

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“…Network pharmacology aims to reveal the mechanisms of natural medicines at the system and molecular levels. At present, network pharmacology plays a significant role in the study of the mechanisms of various natural medicines and TCM, such as Liuwei Dihuang Pills [14], Qing-Luo-Yin [15], and essential oil from Aegle marmelos leaves [16]. In this study, a comprehensive pharmacology network was constructed based on several databases and bioinformatics methods to understand the pharmacological mechanism of Achyranthes bidentata on osteoarthritis.…”

Section: Introductionmentioning

confidence: 99%

PIM1, CYP1B1, and HSPA2 Targeted by Quercetin Play Important Roles in Osteoarthritis Treatment by Achyranthes bidentata

Tian

Peng

et al. 2019

Evidence-Based Complementary and Alternative Medicine

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Aim. Achyranthes bidentata is one of the most commonly used Chinese herbal medicines (CHM) that is currently considered for the treatment of osteoarthritis. The purpose of this study was to reveal the mechanism of Achyranthes bidentata in osteoarthritis treatment based on the network pharmacology. Methods. The effective components of Achyranthes bidentata were firstly screened out from the TCMSP database with ADME property parameters. Then, osteoarthritis-related proteins targeted by the effective components were predicted based on the DrugBank and CTD databases. Subsequently, enrichment analysis and interaction network between targets of effective components and pathways were also studied. In addition, the differentially expressed genes (DEGs) of GSE55457 were used for validation of the osteoarthritis-related target proteins. Finally, the effective components–target molecular docking models were predicted. Results. A total of 10 effective components were identified, of which kaempferol and quercetin had 1 and 29 targets, respectively. There were 26 target proteins of quercetin related to the osteoarthritis. These targets were mainly enriched in mitochondrial ATP synthesis coupled proton transport, cellular response to estradiol stimulus, and nitric oxide biosynthetic process. In addition, there were three common proteins, PIM1, CYP1B1, and HSPA2 based on the DEGs of GSE55457, which were considered as the key targeted proteins of the quercetin. Conclusion. The docking of PIM1-quercetin, CYP1B1-quercetin, and HSPA2-quercetin may play important roles during the treatment of osteoarthritis by Achyranthes bidentata.

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Volatile components, pharmacological profile, and computational studies of essential oil from Aegle marmelos (Bael) leaves: A functional approach

Cited by 71 publications

References 69 publications

Bridelia speciosa Müll.Arg. Stem bark Extracts as a Potential Biomedicine: From Tropical Western Africa to the Pharmacy Shelf

Bridelia speciosa Müll.Arg. Stem bark Extracts as a Potential Biomedicine: From Tropical Western Africa to the Pharmacy Shelf

Chemical profile, antiproliferative, antioxidant, and enzyme inhibition activities and docking studies of Cymbopogon schoenanthus (L.) Spreng. and Cymbopogon nervatus (Hochst.) Chiov. from Sudan

PIM1, CYP1B1, and HSPA2 Targeted by Quercetin Play Important Roles in Osteoarthritis Treatment by Achyranthes bidentata

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