Psychoactive Plant Database - Neuroactive Phytochemical Collection

1. Metab Brain Dis. 2024 Dec;39(8):1573-1590. doi: 10.1007/s11011-024-01408-6.
Epub  2024 Oct 22.

Exploring the material basis and molecular targets of Changma Xifeng tablet in 
treating Tourette syndrome: an integrative approach of network pharmacology and 
miRNA analysis.

Peng J(1), Li Q(2), Liu L(2), Gao P(2), Xing L(2), Chen L(2), Liu H(2), Liu 
Z(3).

Author information:
(1)Department of Pharmacy, Wuhan Children's Hospital, Tongji Medical College, 
Huazhong University of Science and Technology, No. 100 Xianggang Road, Jiang'an 
District, Wuhan, Hubei, 430016, China. pengjing@zgwhfe.com.
(2)Department of Pharmacy, Wuhan Children's Hospital, Tongji Medical College, 
Huazhong University of Science and Technology, No. 100 Xianggang Road, Jiang'an 
District, Wuhan, Hubei, 430016, China.
(3)Department of Neurology, Wuhan Children's Hospital, Tongji Medical College, 
Huazhong University of Science and Technology, Wuhan, China.

This study was to investigate the mechanism of Changma Xifeng tablet, a 
traditional Chinese medicine in the treatment of Tourette syndrome. Network 
pharmacology was utilized to pinpoint blood-entering constituents of Changma 
Xifeng and explore their potential targets. Additionally, differential microRNA 
expression analysis was conducted to predict Tourette syndrome-associated 
targets, complemented by molecular docking and dynamics simulations to support 
the interactions of the active compounds with these targets. The study 
identified 98 common targets between Changma Xifeng and Tourette syndrome, which 
may be involved in the treatment process. A protein-protein interaction network 
and a drug-active ingredient-disease target network highlighted the 
formulation's multi-component, multi-target therapeutic approach. Eight pivotal 
targets-AR, GRM5, MET, RORA, HTR2A, CNR1, PDE4B, and TOP1-were identified at the 
intersection of microRNA and drug targets. Molecular docking revealed 12 
complexes with favorable binding energies below - 7 kcal/mol, specifically: AR 
with Alfacalcidol, TOP1 with Albiflorin, GRM5 with Arachidic Acid, GRM5 with 
Palmitic Acid, AR with Arachidic Acid, AR with 2-Hydroxyoctadecanoic Acid, RORA 
with Pinellic Acid, RORA with Palmitic Acid, AR with Acoronene, AR with 
Epiacoronene, AR with 4,4'-Methylenediphenol, and HTR2A with Calycosin. Our 
molecular docking and molecular dynamics simulations suggest potential stable 
interactions between the formulation's active components and target proteins. 
These computational methods provide a preliminary theoretical framework that 
will guide our future experimental work. The study provides a scientific 
rationale for the use of traditional Chinese medicine in Tourette syndrome 
management and offers new insights for drug development.

© 2024. The Author(s), under exclusive licence to Springer Science+Business 
Media, LLC, part of Springer Nature.

DOI: 10.1007/s11011-024-01408-6
PMID: 39436634 [Indexed for MEDLINE]


2. Br J Nutr. 2024 Oct 21:1-26. doi: 10.1017/S0007114524001788. Online ahead of 
print.

Effect of the Mediterranean diet on the fecal long-chain fatty acid composition 
and intestinal barrier integrity: An exploratory analysis of the randomized 
controlled LIBRE trial.

Seethaler B(1), Basrai M(1), Neyrinck AM(2), Vetter W(3), Delzenne NM(2), 
Kiechle M(4), Bischoff SC(1).

Author information:
(1)Institute of Nutritional Medicine, University of Hohenheim, Stuttgart, 
Germany.
(2)Metabolism and Nutrition Research Group, Louvain Drug Research Institute, 
UCLouvain, Université catholique de Louvain, Brussels, Belgium.
(3)Institute of Food Chemistry, University of Hohenheim, Stuttgart, Germany.
(4)Department of Gynecology, Center for Hereditary Breast and Ovarian Cancer, 
Klinikum Rechts der Isar, Technical University Munich and Comprehensive Cancer 
Center Munich, Munich, Germany.

We recently showed that adherence to the Mediterranean diet increased the 
proportion of plasma omega-3 polyunsaturated fatty acids (n-3 PUFAs), which was 
associated with an improved intestinal barrier integrity. In the present 
exploratory analysis, we assessed fecal fatty acids in the same cohort, aiming 
to investigate possible associations with intestinal barrier integrity. Women 
from the LIBRE randomized controlled trial, characterized by an impaired 
intestinal barrier integrity, followed either a Mediterranean diet (intervention 
group, IG, n=33) or a standard diet (control group, CG, n=35). At baseline (BL), 
month 3 (V1), and month 12 (V2), plasma lipopolysaccharide binding protein 
(LBP), fecal zonulin, and fecal fatty acids were measured. In the IG, fecal 
proportions of palmitoleic acid (16:1, n-7) and arachidonic acid (20:4, n-6) 
decreased, while the proportion of linoleic acid (18:2, n-6) and alpha linoleic 
acid (18:3, n-3) increased (BL-V1 and BL-V2, all P<0.08). In the CG, fecal 
proportions of palmitic acid and arachidic acid increased while the proportion 
of linoleic acid decreased (BL-V1, all P<0.05). The decrease in the proportion 
of palmitoleic acid correlated with the decrease in plasma LBP (∆V1-BL r=0.72, 
P<0.001; ∆V2-BL r=0.39, P<0.05) and correlated inversely with adherence to the 
Mediterranean diet (Mediterranean diet score; ∆V1-BL r=-0.42, P=0.03; ∆V2-BL 
r=-0.53, P=0.005) in the IG. Our data show that adherence to the Mediterranean 
diet induces distinct changes in the fecal fatty acid composition. Furthermore, 
our data indicate that the fecal proportion of palmitoleic acid, but not fecal 
n-3 PUFAs, are associated with intestinal barrier integrity in the IG.

DOI: 10.1017/S0007114524001788
PMID: 39431570


3. Chemphyschem. 2024 Sep 23:e202400646. doi: 10.1002/cphc.202400646. Online
ahead  of print.

Reversible in Situ Control over Monolayer Organization.

Mukherjee N(1), Blanchard GJ(1).

Author information:
(1)Michigan State University, Chemistry, 578 S. Shaw Lane, 48824, East Lansing, 
UNITED STATES OF AMERICA.

Cr2+ and Cr3+ ions are shown to mediate the formation, morphology, and 
organization of arachidic acid (AA) Langmuir-Blodgett (LB) monolayers. This 
finding, based on cyclic voltammetry (CV), linear sweep voltammetry (LSV) and 
fluorescence recovery after photobleaching (FRAP) measurements, show that 
Langmuir monolayer formation depends on subphase pH and metal ion concentration. 
Following monolayer deposition on ITO, the LB monolayer organization can be 
modified reversibly through control of the Cr oxidation state, which has not 
been shown before by other monolayers formed with other divalent metal ions. The 
dynamics and the mobility of a chromophore (perylene) incorporated into the 
monolayer sense changes in Cr oxidation state-dependent organization of the LB 
monolayer. Demonstrating reversible changes in monolayer organization provides 
an opportunity to control chemical and electron access to the interface support.

© 2024 Wiley‐VCH GmbH.

DOI: 10.1002/cphc.202400646
PMID: 39312506


4. Sci Rep. 2024 Aug 24;14(1):19665. doi: 10.1038/s41598-024-70574-5.

Phenolic, amino acids, and fatty acids profiles and the nutritional properties 
in the fresh and dried fruits of black rosehip (Rosa pimpinellifolia L.).

Pashaei M(1), Hassanpour H(2).

Author information:
(1)Department of Horticultural Science, Faculty of Agriculture, Urmia 
University, Urmia, Iran.
(2)Department of Horticultural Science, Faculty of Agriculture, Urmia 
University, Urmia, Iran. ha.hassanpour@urmia.ac.ir.

Recently, increased attention has been paid to the raw materials of plants as a 
source of biologically active substances. Black rosehip (Rosa pimpinellifolia 
L.) fruits could be a good resource for potential functional components in the 
food, cosmetic and pharmaceutical industries. Also, drying can influence the 
composition of heat-sensitive phytochemicals. However, less attention is given 
to comparing black rosehip bioactive compounds particularly compositions of 
fatty acid, amino acids, and phenolic content in fresh and dried fruits. So in 
this study, the amino acid constituents (by amino acid analyzer), fatty acids 
(by GC-MS), mineral elements (by atomic absorption spectrometer), antioxidant 
(by DPPH) and phenolic compounds (by HPLC) present in fresh and dried fruits of 
black rosehip naturally grown in Iran were comprehensively investigated. The 
results showed that dried fruits had a lower level moisture by 51.55%, and a 
higher level of total phenolic compounds and total sugar by 786.20 mg GAE/100 g 
and 15.77 g/100 g, respectively. Chlorogenic acid and gallic acid were the major 
phenolic compounds (109.3 mg/g). Whilst, linoleic acid, oleic acid, and 
arachidic acid (85.34%) were the most dominant fatty acids. The most dominant 
amino acids were glutamic acid, phenylalanine, and arginine (29.41 g/100 g). 
Also, Fe and Mn as micro-elements were the most dominant elements. In general, 
the results illustrated the potentials and differences of black rosehip fruits 
grown in the Arasbaran region as promising resources for food sources, 
pharmaceutics, cosmetics, and breeding programs. Also, these findings confirm 
that black rosehip fruits contain significant amounts of secondary metabolites 
that may positively affect human health.

© 2024. The Author(s).

DOI: 10.1038/s41598-024-70574-5
PMCID: PMC11344089
PMID: 39179627 [Indexed for MEDLINE]

Conflict of interest statement: The authors declare no competing interests.


5. Ital J Pediatr. 2024 Aug 22;50(1):154. doi: 10.1186/s13052-024-01726-6.

Dysregulation of cerebrospinal fluid metabolism profiles in spinal muscular 
atrophy patients: a case control study.

Zhuang W(#)(1), Wang M(#)(2), Lu M(#)(2), Chen Z(2), Luo M(2), Lin W(3), Wang 
X(4).

Author information:
(1)Department of Pharmacy, Women and Children's Hospital, School of Medicine, 
Xiamen University, Xiamen, China.
(2)Department of Pediatrics, Women and Children's Hospital, School of Medicine, 
Xiamen University, Xiamen, China.
(3)Department of Pharmacy, Women and Children's Hospital, School of Medicine, 
Xiamen University, Xiamen, China. lwl21029@163.com.
(4)Department of Xiamen Newborn Screening Center, Women and Children's Hospital, 
School of Medicine, Xiamen University, Xiamen, China. xdwang@xmu.edu.cn.
(#)Contributed equally

BACKGROUND: Spinal muscular atrophy (SMA) is a neurodegenerative disorder. 
Although prior studies have investigated the metabolomes of SMA in various 
contexts, there is a gap in research on cerebrospinal fluid (CSF) metabolomics 
compared to healthy controls. CSF metabolomics can provide insights into central 
nervous system function and patient outcomes. This study aims to investigate CSF 
metabolite profiles in untreated SMA patients to enhance our understanding of 
SMA metabolic dysregulation.
METHODS: This case control study included 15 SMA patients and 14 control 
subjects. CSF samples were collected, and untargeted metabolomics was conducted 
to detect metabolites in SMA and control groups.
RESULTS: A total of 118 metabolites abundance were significantly changed between 
the SMA and control groups. Of those, 27 metabolites with variable importance 
for the projection (VIP) ≥ 1.5 were identified. The top 5 differential 
metabolites were N-acetylneuraminic acid (VIP = 2.38, Fold change = 0.43, 
P = 5.49 × 10-5), 2,3-dihydroxyindole (VIP = 2.33, Fold change = 0.39, 
P = 1.81 × 10-4), lumichrome (VIP = 2.30, Fold change = 0.48, P = 7.90 × 10-5), 
arachidic acid (VIP = 2.23, Fold change = 10.79, P = 6.50 × 10-6), and 
10-hydroxydecanoic acid (VIP = 2.23, Fold change = 0.60, P = 1.44 × 10-4). 
Cluster analysis demonstrated that the differentially metabolites predominantly 
clustered within two main categories: protein and amino acid metabolism, and 
lipid metabolism.
CONCLUSIONS: The findings highlight the complexity of SMA, with widespread 
effects on multiple metabolic pathways, particularly in amino acid and lipid 
metabolism. N-acetylneuraminic acid may be a potential treatment for functional 
improvement in SMA. The exact mechanisms and potential therapeutic targets 
associated with metabolic dysregulation in SMA require further investigation.

© 2024. The Author(s).

DOI: 10.1186/s13052-024-01726-6
PMCID: PMC11342544
PMID: 39175089 [Indexed for MEDLINE]

Conflict of interest statement: The authors declare that they have no competing 
interests.