Psychoactive Plant Database - Neuroactive Phytochemical Collection

1. Phytochem Anal. 2024 Nov 4. doi: 10.1002/pca.3471. Online ahead of print.

An Integrated Approach to Identify the Q-Markers of Banxia-Houpo Decoction Based 
on Nontargeted Multicomponent Profiling, Network Pharmacology, and Chemometrics.

Wang L(1)(2), Wu W(3), Li G(1), Chen H(1), Fan Y(3), Chen W(4), Zhou G(4), Li 
W(1)(2).

Author information:
(1)College of Pharmaceutical Engineering of Traditional Chinese Medicine, 
Tianjin University of Traditional Chinese Medicine, Tianjin, China.
(2)Tianjin Key Laboratory of Intelligent and Green Pharmaceuticals for 
Traditional Chinese Medicine, Tianjin, China.
(3)Jiuxin (Wuhan) Institute of Traditional Chinese Medicine Co. Ltd., Wuhan, 
China.
(4)Shanghai Zhen Ren Tang Pharmaceutical Co. Ltd., Shanghai, China.

INTRODUCTION: The inherent complexity of traditional Chinese medicine (TCM) 
poses significant challenges in directly correlating quality evaluation with 
clinical efficacy. Banxia-Houpo Decoction (BHD), a classical TCM formula, has 
demonstrated efficacy in treating globus hystericus. However, the intricate 
composition of BHD, which contains both volatile and non-volatile active 
components, complicates efforts to ensure its consistent quality and clinical 
effectiveness.
OBJECTIVE: The aim of this study was to introduce an integrated approach that 
combines non-targeted multicomponent analysis, network pharmacology, and 
multivariate chemometrics to identify quality markers for the effective quality 
control of BHD.
MATERIALS AND METHODS: First, a nontargeted high-definition MSE method based on 
ultraperformance liquid chromatography-quadrupole time-of-flight-mass 
spectrometry (UHPLC-QTOF-MS) was developed for the comprehensive multi-component 
characterization of BHD. Next, the quality markers of nonvolatile compounds in 
BHD were identified through network pharmacology analysis. Subsequently, 
volatile organic compounds (VOCs) in BHD samples were analyzed via headspace 
solid-phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC-MS) 
and headspace gas chromatography-ion mobility spectrometry (HS-GC-IMS). Finally, 
the orthogonal partial least squares discriminant analysis (OPLS-DA) model was 
applied to screen for potential markers.
RESULTS: Based on in-house library-driven automated peak annotation and 
comparison with 25 reference compounds, 128 components were identified for the 
first time. Additionally, honokiol, magnolol, magnoflorine, 6-gingerol, 
rosmarinic acid, and adenosine were preliminarily identified as potential 
quality markers for BHD through network pharmacology analysis. By employing two 
complementary techniques, HS-SPME-GC-MS and HS-GC-IMS, a total of 145 volatile 
compounds was identified in the BHD samples. Four potential differential VOCs in 
the BHD samples were further identified based on the variable importance in 
projection (VIP ≥ 1.5) using HS-GC-IMS combined with chemometric analysis.
CONCLUSION: In conclusion, this study not only contributes to establishing 
quality standards for BHD but also offers new insights into quality assessment 
and identification in the development of classical formulations enriched with 
volatile components.

© 2024 John Wiley & Sons Ltd.

DOI: 10.1002/pca.3471
PMID: 39497523


2. Chem Biodivers. 2024 Oct 10:e202401886. doi: 10.1002/cbdv.202401886. Online 
ahead of print.

In-silico and In-vitro Investigation of Flavonoids and Alkaloids from Artocarpus 
heterophyllus, Tinospora cordifolia, and Glycosmis pentaphylla as Potential 
NF-κB Inhibitors in Oral Cancer.

Gotsurve KN(1), Das J(2), Kutre S(3), Teja PK(3), Rathod R(4), Chauthe SK(3), 
Behera SK(5).

Author information:
(1)NIPER Ahmedabad, Biotechnology, Gandhinagar, Gandhinagar, INDIA.
(2)National Institute of Pharmaceutical Education and Research Ahmedabad, 
Natural Products, Gandhinagar, Gandhinagar, INDIA.
(3)National Institute of Pharmaceutical Education and Research Ahmedabad, 
Natural Products, Gandhinagar, NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION 
AND RESEARCH, Ahmedabad, Gandhina, Gandhinagar, 382355, Gandhinagar, INDIA.
(4)National Institute of Pharmaceutical Education and Research Ahmedabad, CIF, 
Gandhinagar, NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH, 
Ahmedabad, Gandhina, Gandhinagar, 382355, Gandhinagar, INDIA.
(5)National Institute of Pharmaceutical Education and Research Ahmedabad, 
Biothechnology, Opposite air force station, Palaj, Gandhinagar, 382355, 
Gandhinagar, INDIA.

Oral cancer is a global health concern, particularly because of its aggressive 
tissue invasion and metastases, holding 16th position on occurrence among all 
carcinoma worldwide. The aberrated transcription factor NF-κB1 influences 
development and spread of oral cancer, making it a potential therapeutic target. 
This study investigated the therapeutic potential of a few natural compounds 
from Artocarpus heterophyllus, Tinospora cordifolia, and Glycosmis pentaphylla 
in the treatment of oral cancer. Two FDA-approved drugs (5-fluorouracil, 
Docetaxel) and 16 natural compounds, including Artocarpin, Artocarpanone, 
Cycloartocarpin from Artocarpus heterophyllus; Berberine, Hydrastine, 
Magnoflorine, Palmatine Chloride, Tetrahydropalmatine from Tinospora cordifolia; 
and 5-Hydroxyarborinine, 5-Hydroxynoracronycine, 
1-Hydroxy-3-methoxy-10-methyl-9-acridone, Des-N-methylacronycine, 
Des-N-methylnoracronycine, Kokusagenine, Noracronycin, Skimmianine from 
Glycosmis pentaphylla were examined using in-silico techniques. Among the 16 
natural compounds studied, Hydrastine shown the highest binding energy (-6.87 
kcal/mol) against NF-κB1, surpassing all other drugs, including the standards 
5-fluorouracil (-4.04 kcal/mol) and docetaxel (-2.4 kcal/mol). Further molecular 
dynamics simulations and in-vitro experiments verified Hydrastine's exceptional 
anti-cancer activity. The results of in-vitro were well-aligned with the 
findings of in-silico, revealing considerable cytotoxicity, apoptosis induction, 
and cell cycle arrest. The findings revealed natural compounds' potential as 
safer, more effective alternatives to current cancer therapeutics, opening up 
new avenues for oral cancer treatment.

© 2024 Wiley‐VCH GmbH.

DOI: 10.1002/cbdv.202401886
PMID: 39387347


3. Cardiovasc Diagn Ther. 2024 Aug 31;14(4):576-588. doi: 10.21037/cdt-24-130.
Epub  2024 Aug 14.

Magnoflorine attenuates Ang II-induced cardiac remodeling via promoting 
AMPK-regulated autophagy.

Zhu M(1), Hu J(1), Pan Y(2), Jiang Q(1), Shu C(3).

Author information:
(1)Department of Rehabilitation Medicine, the First People's Hospital of 
Yongkang, Yongkang, China.
(2)Department of Cardiology, the First People's Hospital of Yongkang, Yongkang, 
China.
(3)Department of Medical, the First People's Hospital of Yongkang, Yongkang, 
China.

BACKGROUND: Heart failure (HF) remains one of the most common events in the 
progression of hypertension. Magnoflorine (MNF) has been shown beneficial 
effects on the cardiovascular system. However, the action of MNF on angiotensin 
(Ang) II-induced cardiac remodeling and its underlying mechanisms have not yet 
been characterised. Here, we assessed the action of MNF in the development of 
hypertension-related HF.
METHODS: C57BL/6 male mice were subjected to Ang II through a micro-osmotic pump 
infusion continuously for 4 weeks to induce hypertensive HF. MNF (10 and 20 
mg/kg) was administered in the final 2 weeks. Ang II content was measured by 
enzyme-linked immunosorbent assay (ELISA) kit. Values of ejection fraction (EF) 
and fractional shortening (FS) were detected using an ultrasound diagnostic 
instrument. The mRNA levels of hypertrophic and fibrotic genes were determined 
by real-time quantitative polymerase chain reaction (RT-qPCR). Haematoxylin and 
eosin (H&E), wheat germ agglutinin (WGA), Masson trichrome, and Sirius Red 
staining were used to analyse pathologic changes in heart tissues. The 
expression levels of phosphorylated AMP-activated protein kinase (AMPK), light 
chain 3 microtubule associated protein II (LC3 II) to LC3 I, and p62 were 
detected by western blot assay.
RESULTS: MNF significantly improved cardiac dysfunction and the content of 
creatine kinase-MB without altering blood pressure in Ang II-challenged mice. 
MNF obviously corrected the phenotypes of cardiac hypertrophy and fibrosis, 
including the high mRNA levels of atrial natriuretic peptide (Anp), brain 
natriuretic peptide (Bnp), collagen1a (Col1a1), transforming growth factor beta 
(Tgfb1), enlarged myocardial areas, and increased positive areas of Masson 
trichrome and Sirius Red staining. In addition, MNF alleviated oxidative injury, 
reflected by the upregulation of glutathione and the downregulation of reactive 
oxygen species and malondialdehyde. The activation of AMPK was elevated 
accompanied by an increased level of autophagy by MNF in hypertensive heart 
tissues. The therapeutic action of MNF was confirmed in Ang II-challenged H9c2 
cells. Specifically, the AMPK inhibitor could eliminate the autophagy pathway in 
which MNF is involved.
CONCLUSIONS: MNF has benefits in hypertension-induced cardiac remodeling, which 
was partially associated with the improvement of oxidative stress via the 
mediation of the AMPK/autophagy axis.

2024 Cardiovascular Diagnosis and Therapy. All rights reserved.

DOI: 10.21037/cdt-24-130
PMCID: PMC11384461
PMID: 39263476

Conflict of interest statement: Conflicts of Interest: All authors have 
completed the ICMJE uniform disclosure form (available at 
https://cdt.amegroups.com/article/view/10.21037/cdt-24-130/coif). All authors 
report that this study was supported by the Biological Medicine and Health 
Industry Development Support Science and Technology Project of Hangzhou (Nos. 
2022WJC050 and 2022WJC049), and the Zhejiang TCM Scientific Research Foundation 
(No. 2022ZB083). The authors have no other conflicts of interest to declare.


4. Food Chem. 2025 Jan 15;463(Pt 1):141016. doi: 10.1016/j.foodchem.2024.141016. 
Epub 2024 Aug 30.

Tailored NADES solvents for the extraction optimization of benzylisoquinoline 
alkaloids from Thalictrum foliolosum DC.- A potential phyto-nutraceutical 
source.

Singh B(1), Singh L(1), Bhatt ID(2), Kandpal ND(3).

Author information:
(1)Center for Biodiversity Conservation and Management, G. B. Pant National 
Institute of Himalayan Environment, Kosi-Katarmal, Almora, Uttarakhand, India.
(2)Center for Biodiversity Conservation and Management, G. B. Pant National 
Institute of Himalayan Environment, Kosi-Katarmal, Almora, Uttarakhand, India. 
Electronic address: idbhatt@gbpihed.nic.in.
(3)Department of Chemistry, S. S. J. Campus, Soban Singh Jeena University 
Almora, India.

From a perspective focused on phyto-nutraceuticals, alkaloids are considered to 
be the most significant metabolites, as they exhibit a broad range of 
pharmacological applications. Therefore, it is essential, to conduct a thorough 
investigation of the extraction techniques employed and to optimize the overall 
process. Considering this, we delved into tailor-made natural deep eutectic 
solvents coupled with ultrasonic-assisted extraction and macroporous resins 
aided recovery of therapeutics alkaloids from Thalictrum foliolosum DC. The 
extraction parameters including duty cycle (X1), extraction time (X2), water 
content (X3), and liquid-to-solid ratio (X4) were optimized through response 
surface methodology. Under the optimal extraction conditions [duty cycle- 61 %, 
ultrasonication extraction time- 10.35 min, water content- 30.51 %, and 
liquid-to-solid ratio- 30 mL/g], the yield of berberine (11.91 ± 0.12 mg/g DW), 
berbamine (11.85 ± 0.16 mg/g DW), magnoflorine (6.06 ± 0.05 mg/g DW), and 
palmatine (2.53 ± 0.015 mg/g DW) were found to be near the model prediction. 
Further, adsorption/desorption characteristics were investigated, and the 
results highlight AB-8 resin as most effective for the recovery of berberine and 
palmatine, while, XAD-7HP resin is best suited for berbamine and magnoflorine. 
FT-IR analysis shows similar spectra among the purified extracts with 
significantly (p < 0.05) higher antioxidant and anti-glycemic activities. In 
conclusion, the developed method complies with the criteria of green extraction 
which can be harnessed as a natural antioxidant in pharmaceutical and 
nutraceutical industries.

Copyright © 2024 Elsevier Ltd. All rights reserved.

DOI: 10.1016/j.foodchem.2024.141016
PMID: 39241417 [Indexed for MEDLINE]

Conflict of interest statement: Declaration of competing interest The authors 
declare no conflict of interest.


5. Plants (Basel). 2024 Aug 9;13(16):2212. doi: 10.3390/plants13162212.

Comparative Metabolome and Transcriptome Analysis of Rapeseed (Brassica napus 
L.) Cotyledons in Response to Cold Stress.

Liu X(1)(2)(3), Wang T(1)(3), Ruan Y(2), Xie X(2)(4), Tan C(2), Guo Y(1)(3), Li 
B(1)(3), Qu L(1)(3), Deng L(1)(3), Li M(1)(3), Liu C(2)(4).

Author information:
(1)Crop Research Institute, Hunan Academy of Agricultural Sciences, Changsha 
410125, China.
(2)Key Laboratory of Hunan Provincial on Crop Epigenetic Regulation and 
Development, Hunan Agricultural University, Changsha 410128, China.
(3)Yuelushan Laboratory, Hunan Academy of Agricultural Sciences, Changsha 
410125, China.
(4)College of Agronomy, Hunan Agricultural University, Changsha 410128, China.

Cold stress affects the seed germination and early growth of winter rapeseed, 
leading to yield losses. We employed transmission electron microscopy, 
physiological analyses, metabolome profiling, and transcriptome sequencing to 
understand the effect of cold stress (0 °C, LW) on the cotyledons of 
cold-tolerant (GX74) and -sensitive (XY15) rapeseeds. The mesophyll cells in 
cold-treated XY15 were severely damaged compared to slightly damaged cells in 
GX74. The fructose, glucose, malondialdehyde, and proline contents increased 
after cold stress in both genotypes; however, GX74 had significantly higher 
content than XY15. The pyruvic acid content increased after cold stress in GX74, 
but decreased in XY15. Metabolome analysis detected 590 compounds, of which 32 
and 74 were differentially accumulated in GX74 (CK vs. cold stress) and XY15 (CK 
vs. cold stressed). Arachidonic acid and magnoflorine were the most 
up-accumulated metabolites in GX74 subjected to cold stress compared to CK. 
There were 461 and 1481 differentially expressed genes (DEGs) specific to XY15 
and GX74 rapeseeds, respectively. Generally, the commonly expressed genes had 
higher expressions in GX74 compared to XY15 in CK and cold stress conditions. 
The expression changes in DEGs related to photosynthesis-antenna proteins, 
chlorophyll biosynthesis, and sugar biosynthesis-related pathways were 
consistent with the fructose and glucose levels in cotyledons. Compared to XY15, 
GX74 showed upregulation of a higher number of genes/transcripts related to 
arachidonic acid, pyruvic acid, arginine and proline biosynthesis, cell wall 
changes, reactive oxygen species scavenging, cold-responsive pathways, and 
phytohormone-related pathways. Taken together, our results provide a detailed 
overview of the cold stress responses in rapeseed cotyledons.

DOI: 10.3390/plants13162212
PMCID: PMC11360269
PMID: 39204648

Conflict of interest statement: The authors declare no conflicts of interest.