Curcumin or bisdemethoxycurcumin for nose-to-brain treatment of Alzheimer disease? A bio/chemo-informatics case study.

Abstract:

:The current study introduces a new idea of utilising several bio/chemoinformatics tools in comparing two bio-similar natural molecules viz. curcumin and bisdemethoxycurcumin (BDMC) in order to select a potential nose-to-brain remedy for Alzheimer disease. The comparison comprised several bio/chemo informatics tools. It encompassed all levels starting from loading the drug in a certain carrier; PLGA nanoparticles, to the biopharmaceutical level investigating the interaction with mucin and inhibition of P-gp blood-brain barrier efflux pumps. Finally, the therapeutic level was investigated by studying the interaction with pharmacological targets such as amyloid peptide plaques and cyclooxygenase2 enzyme responsible for the inflammatory reactions of the studied disease. The comparison revealed the superiority of curcumin over BDMC. Five new analogues were also hypothesised where diethoxybisdemethoxycurcumin was  recommended as a superior molecule. This work introduced the virtual utilisation of bio/chemo informatics tools as a reliable and economic alternative to the exhausting and resources-consuming wet-lab experimentation.

journal_name

Nat Prod Res

journal_title

Natural product research

authors

Hathout RM,El-Ahmady SH,Metwally AA

doi

10.1080/14786419.2017.1385017

subject

Has Abstract

pub_date

2018-12-01 00:00:00

pages

2873-2881

issue

24

eissn

1478-6419

issn

1478-6427

journal_volume

32

pub_type

杂志文章
  • Optimisation of the recovery of carotenoids from tomato processing wastes: application on textile dyeing and assessment of its antioxidant activity.

    abstract::The present study has been focused on the extraction of natural pigments from tomato industry waste. At first, different solvents and solvents mixture were compared to determine which one is the best for extracting carotenoids compounds from tomato by-products. A mixture of hexane and acetone gave the highest caroteno...

    journal_title:Natural product research

    pub_type: 杂志文章

    doi:10.1080/14786419.2016.1226828

    authors: Baaka N,El Ksibi I,Mhenni MF

    更新日期:2017-01-01 00:00:00

  • Survey of 2,11-cyclized cembranoids from Caribbean sources.

    abstract::This review covers the literature published since the report of the first compound to December 2006, for marine natural 2,11-cyclized cembranoids isolated from Caribbean sources, with 30 citations, most of them from 2000 to 2006, referring to compounds isolated from the Caribbean gorgonian octocorals Briareum asbestin...

    journal_title:Natural product research

    pub_type: 杂志文章,评审

    doi:10.1080/14786410701760797

    authors: Cóbar OM

    更新日期:2009-01-01 00:00:00

  • Bacterial production of tetrodotoxin in the pufferfish Arothron hispidus.

    abstract::This study evaluates the presence, location and production source of tetrodotoxin (TTX) in two species of pufferfish, Diodon histrix and Arothron hispidus, common to Hawaiian waters. Organs from each fish were analysed for TTX and used to isolate bacteria for evaluation of possible TTX production. Comparative analyses...

    journal_title:Natural product research

    pub_type: 杂志文章

    doi:10.1080/14786410903003780

    authors: Campbell S,Harada RM,DeFelice SV,Bienfang PK,Li QX

    更新日期:2009-01-01 00:00:00

  • New methylated flavonol glucosides from Fumana montana Pomel.

    abstract::Three new methylated flavonol glucosides: 3-methoxy-7-O-β-(6″-galloylgluco-pyranoside) quercetin (1), 3,4'-dimethoxy-7-O-β-(6″-galloyl-glucopyranoside) quercetin (2) and 3-methoxy-7-O-β-(6″-galloylgluco-pyranoside) kaempferol (3), in addition to six known flavonols, were isolated from the ethyl acetate extract of Fuma...

    journal_title:Natural product research

    pub_type: 杂志文章

    doi:10.1080/14786419.2013.778848

    authors: Laraoui H,Long C,Haba H,Benkhaled M

    更新日期:2013-01-01 00:00:00

  • Characterization of foxing stains in early twentieth century photographic and paper materials.

    abstract::The subject of this present work is a group of nine historical pictures shot in Palermo by the Sicilian photographer E. Interguglielmi in 1912. They are nine matte-collodion prints mounted on the original cardboard supports and all of them show foxing stains affecting the paper surface. In order to characterise the ch...

    journal_title:Natural product research

    pub_type: 历史文章,杂志文章

    doi:10.1080/14786419.2016.1180600

    authors: Modica A,Bruno M,Di Bella M,Alberghina MF,Brai M,Fontana D,Tranchina L

    更新日期:2019-04-01 00:00:00

  • Structure reassignment of two triterpenes with CASE algorithms and DFT chemical shift predictions.

    abstract::Two triterpenes (14S,17S,20S,24R)-25-hydroxy-14,17-cyclo-20,24-epoxy-malabarican-3-one (CEM, 1a) and (14S,17S,20S,24R)-20,24,25-trihydroxy-14,17-cyclomalabarican-3-one (CM, 2a) with a cyclobutane ring were reported, which have the same NMR data as ocotillone (1b) and gardaubryone C (2b), respectively. An incorrect str...

    journal_title:Natural product research

    pub_type: 杂志文章

    doi:10.1080/14786419.2020.1777122

    authors: Duan ZK,Lv TM,Song GS,Wang YX,Lin B,Huang XX

    更新日期:2020-06-11 00:00:00

  • Three new cassane diterpenes from the seeds of Caesalpinia minax Hance.

    abstract::Four fractions were prepared from the crude extract of Caesalpinia minax Hance and the inhibitory activity of nitric oxide (NO) production release of RAW 264.7 cells stimulated by lipopolysaccharide (LPS) was evaluated. The ethyl acetate (EtOAc) fraction showed obvious inhibitory effect. Bioassay-guided fractionation ...

    journal_title:Natural product research

    pub_type: 杂志文章

    doi:10.1080/14786419.2017.1366480

    authors: Liu Q,Bai B,Yang DP,Peng SY,Zhu LP,Luo MH,Zhao ZM

    更新日期:2018-04-01 00:00:00

  • New diterpene isopimara-7,15-dien-19-oic acid and its prolyl endopeptidase inhibitory activity.

    abstract::The ethanolic extract of the bulbs of Fritillaria imperialis was subjected to fractionation by solvent-solvent extraction. The nonpolar fraction showed inhibitory activity against prolyl endopeptidase (PEP) (EC.3.4.21.26), a large intracellular enzyme that preferentially hydrolyze proline-containing oligopeptidase at ...

    journal_title:Natural product research

    pub_type: 杂志文章

    doi:10.1080/14786410310001643885

    authors: Atta-ur-Rahman,Akhtar MN,Choudhary MI,Tsuda Y,Yasin A,Sener B,Parvez M

    更新日期:2005-01-01 00:00:00

  • Biologically active metabolites from fungi, 19: new isocoumarins and highly substituted benzoic acids from the endophytic fungus, Scytalidium sp.

    abstract::Six known metabolites, two new isocoumarins 4 and 8, and one new highly substituted benzoic acid derivative 9 were isolated from the ethyl acetate culture extract of a fungal endophyte, Scytalidium sp. In addition, another new benzoic acid 10 with an unusual 1,2-dicarbonyl side chain was indirectly identified from its...

    journal_title:Natural product research

    pub_type: 杂志文章

    doi:10.1080/14786410310001620637

    authors: Krohn K,Sohrab MH,Aust HJ,Draeger S,Schulz B

    更新日期:2004-06-01 00:00:00

  • Salvia x jamensis J. Compton: Trichomes, essential oil constituents and cytotoxic-apoptotic activity.

    abstract::Salvia x jamensis J. Compton is a hybrid between Salvia greggii A. Gray and Salvia microphylla Kunt. In this study, we describe three hair types identified by Scanning Electron Microscopy. In the essential oil of the aerial parts of S. jamensis 56 different compounds were identified. The two main constituents were β-c...

    journal_title:Natural product research

    pub_type: 杂志文章

    doi:10.1080/14786419.2012.730044

    authors: Fraternale D,Albertini MC,Rudov A,Flamini G,Ricci D,Bisio A,Battistelli M,Accorsi A

    更新日期:2013-01-01 00:00:00

  • Chemical composition and molecular speciation of the triacylglycerol of the oils of Lonchocarpus sericeus and Lonchocarpus cyanescens.

    abstract::Proximate composition of the seeds and chemical analysis of the oils of Lonchocarpus sericeus and Lonchocarpus cyanescens were determined. The oil content of the seed of L. cyanescens is 29.71 ± 0.20% while that of L. sericeus is 28.00 ± 0.50%. The seeds as well as the oils of L. cyanescens and L. sericeus were found ...

    journal_title:Natural product research

    pub_type: 杂志文章

    doi:10.1080/14786419.2011.643311

    authors: Adewuyi A,Oderinde RA,Rao BV,Prasad RB

    更新日期:2012-01-01 00:00:00

  • Volatile composition, antibacterial and antioxidant activities of artemisia tournefortiana Reichb. from Kashmir, India.

    abstract::The importance of the present study is to find out the phytochemical profile of essential oil (EO) of Artemisia tournefortiana Reichb. and its biological evaluation. Nineteen volatile constituents were identified from EO representing 93.47% of total oil composition. Oxygenated monoterpenes (54.46%) were found to be do...

    journal_title:Natural product research

    pub_type: 杂志文章

    doi:10.1080/14786419.2019.1613990

    authors: Qadir M,Maurya AK,Agnihotri VK,Shah WA

    更新日期:2021-01-01 00:00:00

  • Evidence of cyanamide production in hairy vetch Vicia villosa.

    abstract::Cyanamide (NH(2)CN) has recently been isolated as a plant growth inhibitor from Vicia villosa, which is the first discovery of cyanamide from natural sources. To reveal the presence of the biosynthesized cyanamide in plants, 3.4 mM potassium ((15)N)nitrate was administered to 15- to 35-day-old plants of V. villosa, fr...

    journal_title:Natural product research

    pub_type: 杂志文章

    doi:10.1080/14786410500143583

    authors: Kamo T,Kato K,Hiradate S,Nakajima E,Fujii Y,Hirota M

    更新日期:2006-05-10 00:00:00

  • Chemical composition, antioxidant activity and cytotoxicity on tumour cells of the essential oil from flowers of Magnolia grandiflora cultivated in Iran.

    abstract::Magnolia grandiflora (Magnoliaceae) is an evergreen tree with fragrant and showy flowers native to southeastern USA but widely cultivated all over the world and used in cosmetics industry in treatment of skin diseases. Here, we report on the chemical analysis of the essential oil obtained from flowers of plants cultiv...

    journal_title:Natural product research

    pub_type: 杂志文章

    doi:10.1080/14786419.2017.1303699

    authors: Morshedloo MR,Quassinti L,Bramucci M,Lupidi G,Maggi F

    更新日期:2017-12-01 00:00:00

  • Cytotoxic effect of pure compounds from Piper rivinoides Kunth against oral squamous cell carcinoma.

    abstract::The oral squamous cell carcinoma (OSCC) is the eighth more common cancer in men. The development of new and more efficient drugs is needed. Plants of the genus Piper are popularly used in the treatment of many diseases. This study evaluated the antitumor effect of extract, fraction and isolated compounds from leaves o...

    journal_title:Natural product research

    pub_type: 杂志文章

    doi:10.1080/14786419.2020.1831494

    authors: Fonseca ACCD,de Queiroz LN,Sales Felisberto J,Jessé Ramos Y,Mesquita Marques A,Wermelinger GF,Pontes B,de Lima Moreira D,Robbs BK

    更新日期:2020-10-14 00:00:00

  • Pictalignans D-F, three new neolignan derivatives from Selaginella picta.

    abstract::Three new neolignan derivatives (1-3), together with three known isolariciresinol derivatives (4-6) were isolated from Selaginella picta. Their structures were elucidated by spectroscopic methods (1D/2D NMR, HRESIMS and CD). All isolated compounds were assayed on the neuroprotective activity against the injury of HT-2...

    journal_title:Natural product research

    pub_type: 杂志文章

    doi:10.1080/14786419.2018.1560284

    authors: Cheng F,Zou ZX,Xu PS,Zhang SH,Zhang Y,Yao CP,Xu KP,Tan GS

    更新日期:2020-05-01 00:00:00

  • 5'-Epi-SPA-6952A, a new insecticidal 24-membered macrolide produced by Streptomyces diastatochromogenes SSPRC-11339.

    abstract::A new 24-membered macrolide, 5'-epi-SPA-6952A (1), was isolated from the cultured broth of Streptomyces diastatochromogenes. The structure was elucidated by means of spectroscopic methods and comparing with literature data of the known 24-membered macrolide SPA-6952A. Compound 1 was found to show significant insectici...

    journal_title:Natural product research

    pub_type: 杂志文章

    doi:10.1080/14786419.2017.1405401

    authors: Cao H,Liu W,Chang Y,Chen H,Zhang Y,Xu W,Tao L

    更新日期:2019-03-01 00:00:00

  • Chemical composition and antioxidant activities of the essential oil from Nandina domestica fruits.

    abstract::The chemical composition and antioxidant activities of the essential oil from Nandina domestica fruits were studied for the first time. Twenty-two compounds, representing 82.79% of the oil, were identified from the oil. The major compounds were 3-hexen-1-ol (12.9%), linalool (12.3%), 2-methoxy-4-vinylphenol (9.9%), ol...

    journal_title:Natural product research

    pub_type: 杂志文章

    doi:10.1080/14786419.2015.1057584

    authors: Bi SF,Zhu GQ,Wu J,Li ZK,Lv YZ,Fang L

    更新日期:2016-01-01 00:00:00

  • Two new monoterpene glucosides from Xanthium strumarium subsp. sibiricum with their anti-inflammatory activity.

    abstract::Two new monoterpene glucosides: xanmonoter A (1) and xanmonoter B (2) were isolated from Xanthium strumarium. Their structures were elucidated on the basis of 1D and 2D NMR, MS and CD analysis. Compounds 1 and 2 were tested for their anti-inflammatory activity with IC50 values of 17.4, 22.1 μM, respectively. ...

    journal_title:Natural product research

    pub_type: 杂志文章

    doi:10.1080/14786419.2018.1479701

    authors: Jiang H,Xing X,Yan M,Guo X,Yang L,Yang L

    更新日期:2019-12-01 00:00:00

  • Two new naphthylisoquinoline alkaloids from stems and leaves of Ancistrocladus tectorius.

    abstract::Two new alkaloids, 4'-O-demethylhamatine (1) and ancistrotectoriline C (2), were isolated from the stems and leaves of Ancistrocladus tectorius. These two compounds represent one 5,1'-coupled and one 7,6'-coupled naphthylisoquinoline alkaloid, respectively. Their structures were elucidated by 1D- and 2D-NMR spectra an...

    journal_title:Natural product research

    pub_type: 杂志文章

    doi:10.1080/14786410902836727

    authors: Tang CP,Xin ZQ,Li XQ,Ye Y

    更新日期:2010-07-01 00:00:00

  • A novel methylated sesquiterpene from seagrass Posidonia oceanica (L.) Delile.

    abstract::Phytochemical investigation of chloroform extract from the leaves of the marine plant Posidonia oceanica (L.) Delile (Posidoniaceae), yielded posidozinol, a new methylated sesquiterpene along with β-sitosterol and four known fatty acids: palmitic, palmitoleic, oleic and linoleic acids. The structure elucidation has be...

    journal_title:Natural product research

    pub_type: 杂志文章

    doi:10.1080/14786419.2012.725401

    authors: Hammami S,Salem AB,Ashour ML,Cheriaa J,Graziano G,Mighri Z

    更新日期:2013-01-01 00:00:00

  • Comprehensive metabolite profiling in distinct chemotypes of Commiphora wightii.

    abstract::Commiphora wightii (Arn.) Bhandari, known as guggul, produces a medicinally important gum resin which is used extensively by Ayurvedic physicians to treat various ailments. However, most of the studies on C. wightii have been limited to its gum resin. Comprehensive metabolic profiling of leaves, stem and gum resin sam...

    journal_title:Natural product research

    pub_type: 杂志文章

    doi:10.1080/14786419.2018.1431629

    authors: Bhatia A,Tripathi T,Singh S,Bisht H,Behl HM,Roy R,Sidhu OP

    更新日期:2019-01-01 00:00:00

  • Phytochemical analysis in Alternanthera brasiliana by LC-MS/MS and GC-MS.

    abstract::Alternanthera brasiliana is popularly known as 'penicillin' and used as an anti-inflammatory and for wound healing. The objective of this work was the phytochemical study of the species by analytical techniques such as LC-MS/MS and GC-MS. Twenty-seven compounds were identified, five by LC-MS and 22 by GC-MS analysis. ...

    journal_title:Natural product research

    pub_type: 杂志文章

    doi:10.1080/14786419.2018.1533827

    authors: Alencar Filho JMT,Teixeira HAP,Sampaio PA,Pereira ECV,Amariz IAE,Rolim Neto PJ,Rolim LA,Araújo ECDC

    更新日期:2020-02-01 00:00:00

  • Two new benzopyran derivatives from Mallotus apelta.

    abstract::From the leaves of Mallotus apelta two new benzopyran compounds (1,2) were obtained and their structures were determined using spectroscopic methods. ...

    journal_title:Natural product research

    pub_type: 杂志文章

    doi:10.1080/1057563031000072569

    authors: An TY,Hu LH,Cheng XF,Chen ZL

    更新日期:2003-10-01 00:00:00

  • A trypsin inhibitor from Moringa oleifera flower extract is cytotoxic to Trypanosoma cruzi with high selectivity over mammalian cells.

    abstract::In this study, Moringa oleifera flower extract and a trypsin inhibitor (MoFTI) isolated from it were evaluated for anti-protozoal activity against Trypanosoma cruzi and cytotoxicity to mammalian cells. The presence of flavonoids was remarkable in the HPLC fingerprints of the extract at 254 and 360 nm. Amino acid seque...

    journal_title:Natural product research

    pub_type: 杂志文章

    doi:10.1080/14786419.2017.1389932

    authors: Pontual EV,Pires-Neto DF,Fraige K,Higino TMM,Carvalho BEA,Alves NMP,Lima TA,Zingali RB,Coelho LCBB,Bolzani VS,Figueiredo RCBQ,Napoleão TH,Paiva PMG

    更新日期:2018-12-01 00:00:00

  • The semisynthetic spin-labelled derivatives of 3-hydroxybutanolide as potential oxidative stress inhibitors.

    abstract::To obtain more accessible oxidative stress inhibitors, a series of novel spin-labelled derivatives of 3-hydroxybutanolide (2a-d, 3a-d) with the natural active compound (kinsenoside) as the lead compound were designed, synthesised from the nitroxide free radical piperidine (pyrroline) and the main structural unit of ki...

    journal_title:Natural product research

    pub_type: 杂志文章

    doi:10.1080/14786419.2014.903477

    authors: Liu Q,Liu ZL,Tian J,Shi W,Liu YQ

    更新日期:2014-01-01 00:00:00

  • Two new triterpenes from Alstonia scholaris flowers.

    abstract::In the context of our previous communication on phytochemical studies of the ethanolic extract of flowers of Alstonia scholaris of Pakistan origin, these have resulted in the isolation of two new triterpenoids. One is of the oleanane type, alstoprenyol, 3-β-hydroxy-28-β-acetoxy-5-olea triterpene (1), the other is of u...

    journal_title:Natural product research

    pub_type: 杂志文章

    doi:10.1080/14786419.2012.730046

    authors: Sultana N,Saify ZS,Saleem M,Kamal M

    更新日期:2013-01-01 00:00:00

  • Characteristics of fatty acids and essential oil from sweet fennel (Foeniculum vulgare Mill. var. dulce) and bitter fennel fruits (F. vulgare Mill. var. vulgare) growing in Turkey.

    abstract::Oil content in sweet and bitter fennels was obtained 12.22% and 14.41%, respectively. The C(18:1 c6), C(18:2), C(18:1 c9) and C(16:0) acids corresponding to approximately 97% of total oil was recorded as principal fatty acids. The ratios of essential oil from sweet and bitter fennels were found similar (average 3.00%)...

    journal_title:Natural product research

    pub_type: 杂志文章

    doi:10.1080/14786410801980675

    authors: Coşge B,Kiralan M,Gürbüz B

    更新日期:2008-01-01 00:00:00

  • Synthesis, phytotoxic, cytotoxic, acetylcholinesterase and butrylcholinesterase activities of N,N'-diaryl unsymmetrically substituted thioureas.

    abstract::Fourteen N,N'-diaryl unsymmetrically substituted thioureas were synthesised and their cytotoxic (in vitro), phytotoxic (in vitro), acetylcholinesterase and butrylcholinesterase activities were determined. Thiourea 16 exhibited high, and 1 and 3 showed significant phytotoxic activity. Thioureas 1, 3, 4, 6 and 10 showed...

    journal_title:Natural product research

    pub_type: 杂志文章

    doi:10.1080/14786410802223778

    authors: Begum S,Choudhary MI,Khan KM

    更新日期:2009-01-01 00:00:00

  • Antibacterial activity of prenylated benzopyrans from Peperomia obtusifolia (Piperaceae).

    abstract::Peperomia obtusifolia is a herbaceous perennial plant native to the Americas reported as a traditional medicine to treat snake bites and as a skin cleanser. The bioassay-guided fractionation of crude extracts from aerial parts of P. obtusifolia against a panel of clinically important fungi and bacteria, showed that he...

    journal_title:Natural product research

    pub_type: 杂志文章

    doi:10.1080/14786419.2019.1628751

    authors: Ruiz Mostacero N,Castelli MV,Cutró AC,Hollmann A,Batista JM Jr,Furlan M,Valles J,Fulgueira CL,López SN

    更新日期:2019-06-14 00:00:00