Psychoactive Plant Database - Neuroactive Phytochemical Collection

1. Nat Prod Res. 2024 Nov 5:1-7. doi: 10.1080/14786419.2024.2424390. Online ahead
 of print.

A comprehensive analysis of phytochemicals, antioxidant, anti-inflammatory, 
antibacterial, antifungal and phytoestrogenic properties of different parts of 
Tribulus terrestris.

Lal M(1), Sutradhar D(1).

Author information:
(1)School of Advanced Science and Languages, VIT Bhopal University, Madhya 
Pradesh, India.

Tribulus terrestris L., a medicinal plant rich in secondary metabolites, was 
studied for optimising bioactive compound extraction from various parts of the 
plant using ethanol-water (50:50), ethanol, and methanol solvents. Analysis of 
extracts for key phytochemicals like polyphenols, flavonoids, saponins, and 
alkaloids was performed using HPTLC, HPLC and gas chromatography. The 
ethanol-water mixture proved best for extracting saponins and polyphenols, 
ethanol for flavonoids, and methanol for alkaloids. The fruit yielded the 
highest saponin content (59.34% ± 3.87), while leaves were richest in 
polyphenols (18.94% ± 1.39), flavonoids (5.15% ± 1.01), and alkaloids (26.46% ± 
1.71). Leaf extracts showed the highest antibacterial activity against B. 
subtilis and P. aeruginosa, and stem extracts were effective against E. coli. 
Root, stem, and leaf extracts exhibited antifungal activity with leaf extract 
also demonstrating strong phytoestrogenic activity. These findings highlight the 
varied phytochemical profiles and biological activities of T. terrestris, 
suggesting their potential therapeutic uses.

DOI: 10.1080/14786419.2024.2424390
PMID: 39499233


2. Rapid Commun Mass Spectrom. 2025 Jan 15;39(1):e9929. doi: 10.1002/rcm.9929.

Two Erigeron species comparison based on their ingredient profile by 
UPLC-PDA-QTOF-MS/MS and discriminant analysis.

Zhang J(1)(2), Wang Y(1), Wulu J(1), Jin W(1), Yang Q(1), Zhang Z(1).

Author information:
(1)Tibetan Plateau Ethnic Medicinal Resources Protection and Utilization Key 
Laboratory of National Ethnic Affairs Commission of the People's Republic of 
China, Southwest Minzu University, Chengdu, China.
(2)Qinzhou Provincial Health School, Qinzhou, China.

RATIONALE: Erigeron breviscapus (EB) and Erigeron multiradiatus (EM) are the two 
species of the genus Erigeron (Asteraceae) with extremely close genetic 
relationships. They were used as the same "meiduoluomi" for the treatment of 
plague and epidemics in traditional Tibetan medicine. But in traditional Chinese 
medicine, only EB is used for treatment of cerebrovascular obstruction, 
hemiplegia due to stroke, coronary artery obstruction, chest congestion, and 
angina pectoris. These two Erigeron species show different effects in different 
traditional medicine systems. Therefore, analyzing the chemical compositions of 
two species will not only enhance comprehension of their medicinal properties 
but also foster the advancement and exploration of novel applications. However, 
to date, there has been no comprehensive and detailed investigation comparing 
the constituents of EB and EM.
METHODS: A methodology for rapid identification of chemical profiles from two 
Erigeron species was devised through the integration of ultra-high-performance 
liquid chromatography coupled with quadrupole time-of-flight tandem mass 
spectrometry (UHPLC-QTOF-MS/MS) and multivariate statistical analysis. 
Additionally, a UHPLC-photo-diode array (PDA) method was established to 
precisely quantify of 11 components.
RESULTS: A total of 58 constituents comprising flavonoids, phenolic acids, 
saponin, and long chain fatty acids were elucidated. Thirteen compounds were 
identified as potential differentiators in chemical profiles among the two 
Erigeron species. For quantitative assessment, 11 bioactive compounds were 
simultaneously quantified across 49 batches of Erigeron species samples 
utilizing UHPLC-PDA with wavelengths of 325, 254, and 266 nm. The method 
demonstrated excellent precision, linearity, accuracy, repeatability, stability, 
and recovery.
CONCLUSIONS: The findings from this study will serve as a reference for quality 
control, functional activity exploration, and improved clinical application 
based on the ingredient profiles of the two species. Furthermore, this inaugural 
investigation into the ingredient profiles of these two species will enhance the 
potential and optimal utilization of both EB and EM resources.

© 2024 John Wiley & Sons Ltd.

DOI: 10.1002/rcm.9929
PMID: 39497288 [Indexed for MEDLINE]


3. Chem Biol Interact. 2023 Oct 28:110785. doi: 10.1016/j.cbi.2023.110785. Online
 ahead of print.

α-Hederin induces human colorectal cancer cells apoptosis through disturbing 
protein homeostasis.

Wang Q(1), Feng H(2), Li Z(2), Wu Q(3), Li L(4), Sun D(4), Tan J(4), Fan M(4), 
Yu C(4), Xu C(4), Lai Y(4), Shen W(5), Cheng H(6).

Author information:
(1)The First Clinical Medical College, Nanjing University of Chinese Medicine, 
Nanjing, 210023, Jiangsu, China; Zhenjiang Hospital of Integrated Traditional 
Chinese and Western Medicine, Zhenjiang, 212000, Jiangsu, China.
(2)The First Clinical Medical College, Nanjing University of Chinese Medicine, 
Nanjing, 210023, Jiangsu, China.
(3)State Key Laboratory of Quality Research in Chinese Medicines, Faculty of 
Chinese Medicine, Macau University of Science and Technology, Macau, 999078, 
China.
(4)The First Clinical Medical College, Nanjing University of Chinese Medicine, 
Nanjing, 210023, Jiangsu, China; Collaborative Innovation Center of Traditional 
Chinese Medicine Prevention and Treatment of Tumor, Nanjing, 210023, Jiangsu, 
China.
(5)The First Clinical Medical College, Nanjing University of Chinese Medicine, 
Nanjing, 210023, Jiangsu, China; Collaborative Innovation Center of Traditional 
Chinese Medicine Prevention and Treatment of Tumor, Nanjing, 210023, Jiangsu, 
China. Electronic address: weixingshen@njucm.edu.cn.
(6)The First Clinical Medical College, Nanjing University of Chinese Medicine, 
Nanjing, 210023, Jiangsu, China; Collaborative Innovation Center of Traditional 
Chinese Medicine Prevention and Treatment of Tumor, Nanjing, 210023, Jiangsu, 
China; Department of Oncology, Affiliated Hospital of Nanjing University of 
Chinese Medicine, Nanjing, 210023, Jiangsu, China. Electronic address: 
haibocheng@njucm.edu.cn.

Protein homeostasis and quality control are crucial for normal cellular 
activities, and a severe imbalance in protein homeostasis can lead to cell 
death. α-Hederin, a pentacyclic triterpenoid saponin isolated from Fructus 
Akebia, has a clear role in promoting colorectal cancer (CRC) cell apoptosis and 
has been recently used for CRC therapy. However, whether the pro-apoptotic 
activity of α-hederin in CRC cells involves disturbing protein homeostasis 
remains unknown. Here, we aimed to uncover the underlying molecular mechanism of 
α-hederin-induced apoptosis in CRC cells. Cell viability and proliferation were 
examined by 3-(4,5-dimethylthiazol-2-yl)-2,5 diphenyl tetrazolium bromide (MTT) 
and 5-ethynyl-2'-deoxyuridine (EdU) assays, respectively. Apoptosis was detected 
using flow cytometry and western blotting. Autophagic flux was examined by 
western blotting and AdPlus-mCherry-GFP-LC3B adenovirus infection assays, and 
western blotting and immunofluorescence staining were performed to detect the 
expression of proteins in related pathways. The results showed that α-hederin 
significantly inhibited the growth and promoted the apoptosis of human CRC 
cells. Furthermore, α-Hederin induced endoplasmic reticulum (ER) stress, but 
inhibited proteasomal degradation. Also, the autophagic flux was blocked by 
α-hederin although this drug promoted autophagosome formation, and the lysosomal 
degradation was inhibited. Expression of p-JNK and p-p38 were increased by 
α-hederin. So, our findings provide strong evidence that α-hederin disrupts 
protein homeostasis by blocking ER-associated degradation (ERAD) and autophagic 
flux, thereby contributing to apoptosis. PERK-eIF2α-ATF4-CHOP and 
IRE1-ASK1-JNK/p38 signal pathway may be involved in those regulation. Our 
results make it a promising alternative or adjunct therapeutic candidate for 
CRC.

Copyright © 2023. Published by Elsevier B.V.

DOI: 10.1016/j.cbi.2023.110785
PMID: 39492501

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


4. J Colloid Interface Sci. 2023 Oct 21;654(Pt B):1031-1039. doi: 
10.1016/j.jcis.2023.10.108. Online ahead of print.

Promoting the adsorption of saponins at the hydrophilic solid-aqueous solution 
interface by the coadsorption with cationic surfactants.

Tucker IM(1), Burley A(1), Petkova RE(1), Hosking SL(1), Webster JRP(2), Li 
PX(2), Ma K(2), Penfold J(3), Thomas RK(4).

Author information:
(1)Unilever Research and Development, Port Sunlight Laboratory, Quarry Road 
East, Bebington, Wirral, UK.
(2)ISIS Facility, STFC, Rutherford Appleton Laboratory, Harwell Campus, Didcot, 
OXON, UK.
(3)ISIS Facility, STFC, Rutherford Appleton Laboratory, Harwell Campus, Didcot, 
OXON, UK; Physical and Theoretical Chemistry Laboratory, Oxford University, 
South Parks Road, Oxford, UK. Electronic address: jeff.penfold@stfc.ac.uk.
(4)Physical and Theoretical Chemistry Laboratory, Oxford University, South Parks 
Road, Oxford, UK.

HYPOTHESIS: Saponins are highly surface active glycosides, and are extensively 
used to stabilise emulsions and foams in beverages, foods, and cosmetics. 
Derived from a variety of plant species these naturally occurring biosurfactants 
have wider potential for inclusion in many low carbon and or sustainably sourced 
products. Although their adsorption at the air-solution and liquid-liquid 
interfaces has been extensively studied, the nature of their adsorption at solid 
surfaces is much less clear. The aim of this study was to establish the criteria 
for and nature of the adsorption of saponins at both hydrophilic and hydrophobic 
solid surfaces.
EXPERIMENTS: Adsorption at the hydrophilic and hydrophobic solid surfaces was 
investigated using neutron reflectivity. Measurements were made for the saponins 
escin, quillaja and glycyrrhizic acid. At the hydrophilic surface measurements 
were also made for escin / cetyltrimethyl ammonium bromide, C16TAB, mixtures; 
using deuterium labelling to determine the surface structure and composition.
FINDINGS: At a range of solution concentrations, from below to well in excess of 
the critical micelle concentration, cmc, there was no saponin adsorption evident 
at either the hydrophilic or hydrophobic surface. This implies an inherent 
incompatibility between the surface OH- groups at the hydrophilic surface and 
the saponin sugar groups, and a reluctance for the hydrophobic triterpenoid 
group of the saponin to interact with the octadecyltrichlorosilane, OTS, 
hydrophobic solid surface. Above a critical composition or concentration escin / 
C16TAB mixtures adsorb at the hydrophilic solid surface; with a surface 
composition which is dominated by the escin, and a structure which reflects the 
disparity in the molecular arrangement of the two surfactant components. The 
results provide an important insight into how cooperative adsorption can be 
utilised to promote adsorption of saponins at the solid- solution interface.

Crown Copyright © 2023. Published by Elsevier Inc. All rights reserved.

DOI: 10.1016/j.jcis.2023.10.108
PMID: 39491061

Conflict of interest statement: Declaration of Competing Interest The authors 
declare that they have no known competing financial interests or personal 
relationships that could have appeared to influence the work reported in this 
paper.


5. Spectrochim Acta A Mol Biomol Spectrosc. 2024 Oct 28;327:125349. doi: 
10.1016/j.saa.2024.125349. Online ahead of print.

Exploring the potential of diosgenin as a promising antitumor agent through 
comprehensive spectroscopic characterization, solvent-solute interactions, 
topological properties, Hirshfeld surface, and molecular docking interactions 
with 2NZT and 2I1V proteins.

Ram Kumar A(1), Selvaraj S(2), Vickram AS(1), Sheeja Mol GP(3), Awasthi S(4), 
Thirunavukkarasu M(5), Selvaraj M(6), Basumatary S(7).

Author information:
(1)Department of Biotechnology, Saveetha School of Engineering, Saveetha 
Institute of Medical and Technical Sciences (SIMATS), Saveetha University, 
Chennai 602105, Tamil Nadu, India.
(2)Department of Physics, Saveetha School of Engineering, Saveetha Institute of 
Medical and Technical Sciences (SIMATS), Saveetha University, Chennai 602105, 
Tamil Nadu, India. Electronic address: sselvaphy@gmail.com.
(3)P.G. Department of Physics, St. Joseph's College for Women, Alappuzha 688001, 
Kerala, India, Affiliated to University of Kerala, Thiruvananthapuram 695034, 
Kerala, India.
(4)Department of Chemistry, School of Basic Sciences, Manipal University Jaipur, 
Jaipur 303007, Rajasthan, India.
(5)Department of Physics, Vel Tech Rangarajan Dr. Sagunthala R&D Institute of 
Science and Technology, Avadi, Chennai 600062, Tamil Nadu, India.
(6)Department of Chemistry, Faculty of Science, King Khalid University, Abha 
61413, Saudi Arabia; Research Centre for Advanced Materials Science (RCAMS), 
King Khalid University, Abha 61413, Saudi Arabia.
(7)Department of Chemistry, Bodoland University, Kokrajhar 783370, Assam, India.

This study characterizes the steroidal saponin diosgenin by theoretical and 
experimental spectroscopic techniques. Theoretical simulations were performed 
using the DFT/B3LYP/6-311++G(d,p) basis set to simulate spectroscopic, 
structural and other properties. Optimized geometries from simulations and 
experiments showed strong agreement, with R2 value of 0.99846 for bond lengths 
and 0.88092 for bond angles. Vibrational spectra revealed distinctive peaks for 
the methyl, methylene, and methine groups in diosgenin. Solvent-solute 
interactions on the Frontier Molecular Orbitals (FMO), Molecular Electrostatic 
Potential (MEP) surfaces, and electronic spectra were analyzed, revealing 
insights into diosgenin's behavior in different environments. The FMO energy gap 
shows that polar solvents like acetone, ethanol, and water have wider band gaps 
(6.22-6.23 eV) than non-polar solvents like benzene, chloroform, and toluene 
(6.17-6.20 eV), indicating stronger interactions with polar groups, enhanced 
stability, and reduced reactivity. NBO analysis shows substantial stabilization 
energy (14.71 kJ/mol) when electrons from oxygen's (O1) lone pair are donated to 
the anti-bonding orbital of O2C15 through the transition of LP (2) → σ*. The 
carbon (C15) situated between oxygen (O1) and (O2) exhibits increased 
electronegativity (-1.65605 e), confirming the electronegativity of the oxygen 
atoms. Hirshfeld surfaces shows that the crystal structure is mainly influenced 
by H…H (90.7 %) interaction. Topological analyses revealed molecular 
interactions and chemical bonding within diosgenin, highlighting its diverse 
chemical functionalities. Furthermore, molecular docking and ADME predictions 
underscores diosgenin's potential biological activity against human hexokinase 
(-8.09 kcal/mol) and phosphofructokinase (-8.35 kcal/mol), suggesting its 
efficacy as an antitumor drug.

Copyright © 2024 Elsevier B.V. All rights reserved.

DOI: 10.1016/j.saa.2024.125349
PMID: 39488911

Conflict of interest statement: Declaration of competing interest The authors 
declare that they have no known competing financial interests or personal 
relationships that could have appeared to influence the work reported in this 
paper.