Psychoactive Plant Database - Neuroactive Phytochemical Collection

1. J Nat Prod. 2024 Nov 6. doi: 10.1021/acs.jnatprod.4c00847. Online ahead of 
print.

Combining the Strengths of MS and NMR in Biochemometrics: A Case Study on 
Buddleja officinalis.

Wasilewicz A(1), Areesanan A(2), Kirchweger B(1)(3), Nicolay S(2), Waltenberger 
E(1), Beniddir MA(4), Gründemann C(2), Rollinger JM(1), Grienke U(1).

Author information:
(1)Division of Pharmacognosy, Department of Pharmaceutical Sciences, Faculty of 
Life Sciences, University of Vienna, Josef-Holaubek-Platz 2, 1090 Vienna, 
Austria.
(2)Translational Complementary Medicine, Department of Pharmaceutical Sciences, 
University of Basel, Campus Rosental, Mattenstrasse 22, 4058 Basel, Switzerland.
(3)Pharmaceutical Biology, Department of Pharmacy, 
Ludwig-Maximilians-Universität München, Butenandtstraße 5-13, 81377 Munich, 
Germany.
(4)Équipe Chimie des Substances Naturelles, BioCIS, CNRS, Université 
Paris-Saclay, 17 Avenue des Sciences, 91400 Orsay, France.

Biochemometrics has emerged as promising strategy for the targeted 
identification of bioactive constituents from natural sources. It is based on 
the correlation of bioactivity data with chemical data to reveal constituents 
contributing to activity. Providing complementary data and structural 
information, MS- and NMR-based biochemometric approaches have both been 
separately applied in the past. The herein presented study is dedicated to the 
evaluation of a combined MS- and NMR-based biochemometric workflow for the 
unambiguous identification of bioactives. As an example, a flower extract of 
Buddleja officinalis Maxim. was selected to unravel bioactive constituents in 
the context of dry eye disease pathology. While NMR-based biochemometrics relies 
on heterocovariance analysis (HetCA) of 1H NMR spectra using the previously 
established ELINA approach, a biochemometric molecular network was generated for 
the MS-based approach. Both analyses were performed in parallel and were 
ultimately combined to increase their power to identify the bioactive 
constituents from the complex mixture. As a result, phenylethanoid glycosides 
and triterpene saponins were discovered as main contributors for the antioxidant 
and cytotoxic effects of the extract. This article illustrates the advantages, 
opportunities, and limitations of MS and NMR in the context of biochemometrics.

DOI: 10.1021/acs.jnatprod.4c00847
PMID: 39503999


2. Pak J Pharm Sci. 2024 Sep;37(5):1177-1187.

Qualitative and quantitative phytochemical screening and antioxidant potential 
of Bulbine inflata (Asphodelaceae).

Oyerinde RO(1), Risenga IM(1).

Author information:
(1)School of Animal, Plant and Environmental Sciences, University of the 
Witwatersrand, Johannesburg, South Africa.

Bulbine inflata is one of the species in the genus Bulbine that are yet to be 
documented for potential medicinal uses. Hence, we carried out its preliminary 
phytochemical profiling and investigated its antioxidant potential. The leaves 
were dried using air- and freeze-drying techniques and were extracted by water, 
methanol, ethyl acetate and hexane. Various common colour tests were used for 
the presence of phytochemicals. Some of the phytochemicals were further 
quantified. Phosphomolybdate, 2, 2 diphenyl-1-picryhydrazyl, hydrogen peroxide 
and metal chelating assays were used to assess the antioxidant potential of B. 
inflata. Tannin, flavonoids, phenols, glycosides, steroids, coumarins, quinones, 
saponins and terpenoids were detected phytochemicals in B. inflata leaves. The 
highest total phenolic, flavonoid and tannin contents, as well as total 
antioxidant capacity, were recorded for water extract. B. inflata showed 
moderate to high antioxidant activities against DPPH, H2O2 and metal chelating. 
Freeze-dried samples presented with higher results than air-dried samples in 
most assays. The results showed the potential of B. inflata for medicinal uses 
and could expand the ethnomedicinal resources in the communities where it is 
prevalent and beyond.

PMID: 39495859 [Indexed for MEDLINE]


3. Curr Pharm Biotechnol. 2024 Nov 1. doi: 10.2174/0113892010332012241027022502. 
Online ahead of print.

Biochemical Screening, In-vitro and In-silico Characterization of Citrullus 
colocynthis Fruit Extracts: A Combined Experimental and Computation Study.

Shehzadi SA(1), Ashraf MA(1), Shafiq N(2), Rida F(2), Javed A(3), Younas F(1), 
Un-Nisa W(4), Younus W(5).

Author information:
(1)Sulaiman Bin Abdullah Aba Al-Khail-Centre for Interdisciplinary Research in 
Basic Sciences (SA-CIRBS), International Islamic University-44000 Islamabad, 
Pakistan.
(2)Synthetic and Natural Product Drug Discovery Laboratory, Department of 
Chemistry, Government College Women University Faisalabad-38000, Pakistan.
(3)Atta-ur-Rahman School of Applied Biosciences (ASAB), National University of 
Sciences and Technology (NUST), H-12 Islamabad, Pakistan.
(4)International Islamic University, Islamabad Sulaiman Bin Abdullah Aba 
Al-Khail-Centre for Interdisciplinary Research in Basic Sciences (SA-CIRBS) 
Islamabad Pakistan.
(5)Department of Computer Science, Hamdard University, Islamabad, Pakistan.

BACKGROUND: Several medicinal plants are identified as therapeutic agents for 
the world's most deadly disease cancer. A member of the "Cucurbitaceae" family 
of medicinal plants, Citrullus colocynthis (C. colocynthis) has various 
pharmacological actions.
AIMS AND OBJECTIVES: In the present study we have focused on the phytochemical 
analysis, antimicrobial, anticancer and in silico investigation of fruit 
extracts of C. colocynthis. The chloroform, pure ethanolic and aq. ethanolic 
extracts of C. colocynthis whole fruit, peel and pulp separately have been 
investigated.
METHODS: The phytochemical analysis revealed the presence of alkaloids, 
flavonoids, steroids, phenols, saponins and glycosides in various parts of the 
fruit. Some compounds have been identified using GC-MS analysis by comparing 
with NIST library data. The antimicrobial activity of all extracts was checked 
by agar well diffusion method against five different bacterial strains such as 
A. baumannii, K. pneumonia, S. aureus, P. aeruginosa and E. coli. The zone of 
inhibition (ZOI) ranged between 11 mm to 27 mm against different strains.
RESULTS: The polar solvent extracts (ethanolic and aq. ethanolic extract) of 
peel showed good sensitivity against all bacterial strains as compared to 
non-polar solvent (chloroform extract), which showed activity only against 
Staphylococcus aureus and Pseudomonas aeruginosa. The cytotoxic activity of C. 
colocynthis all extracts against human brain cancer cell lines (U-87) was 
assessed using MTT assay.
CONCLUSION: The % cell viability of ethanolic (ET-PL), and aq. ethanolic extract 
of whole fruit and pulp showed promising results. The cancerous cell line U-87 
seems to be more sensitive towards polar solvents (ethanolic and aq. ethanolic) 
pulp extracts than peel. Further, based on invitro results, compounds identified 
in ET-PP were screened for their potential as antibacterial and anticancer 
agents through molecular docking and MMGBSA studies. These studies strongly 
supported the in-vitro study results and identified new drug candidates.

Copyright© Bentham Science Publishers; For any queries, please email at 
epub@benthamscience.net.

DOI: 10.2174/0113892010332012241027022502
PMID: 39492776


4. Arch Razi Inst. 2024 Apr 30;79(2):395-402. doi: 10.32592/ARI.2024.79.2.395. 
eCollection 2024 Apr.

In vitro Evaluation of Anti-obesity Potential of Phyllanthus Fraternus Leaves.

Patil R(1), Nadaf R(1), Kumbar V(1), Dodamani S(1), Ghagane S(1).

Author information:
(1)Department of Biotechnology, KAHER's Dr. Prabhakar Kore Basic Science 
Research Centre, Belagavi-590010, Karnataka, India.

Obesity has been an important health concern for over a decade, causing serious 
health issues worldwide. Treatments available for obesity include FDA-approved 
drugs such as Lorcaserin, Orlistat, Bupropion, combinations of Phentermine and 
Topiramate, and Sibutramine; however, these have adverse effects on health. To 
address the said issue, the current study was conducted to evaluate the 
anti-obesity potential of Phyllanthus fraternus leaves. These leaves are a rich 
source of different phytochemicals (e.g., alkaloids, saponins, terpenoids, 
tannins), and the plant has been shown to exhibit medicinal properties; 
therefore, it can be used for treating obesity disorders. The crude extract of 
plants was prepared in three different solvents (e.g., methanol, hydro alcohol, 
and isopropyl alcohol). Lipid inhibition was determined using lipase inhibition 
assay, and amylase assay was carried out to determine if the plant extract had 
anti-diabetic properties. An oil red staining was carried out to determine lipid 
accumulation in which the cells were incubated with plant extract for 48 h. To 
determine if the plant extract was toxic to 3T3 cells, an MTT assay was carried 
out to assess cell viability. Through lipase inhibition assay, we depicted 
potent anti-obesity properties, isopropyl alcohol extract exhibited 67.45% 
inhibition at the concentration of 500µg/ml. Methanol extract showed the highest 
percent of α amylase inhibition i.e., 90.03% at a concentration of 1,000 µg/ml. 
The MTT assay concluded that the plant extracts were not cytotoxic to the cells 
at a concentration range between 20µg/ml to 100µg/ml, and the percentage of 
viable cells was 98-63%. The results obtained from the current study revealed 
that the plant exhibits potent anti-obesity properties. Thus, this plant extract 
is a potential source as an alternative treatment to treat obesity.

DOI: 10.32592/ARI.2024.79.2.395
PMCID: PMC11512182
PMID: 39463720 [Indexed for MEDLINE]

Conflict of interest statement: Rajalaxmi Patil, Rubeen Nadaf, Vijay Kumbar, 
Suneel Dodamani, and Shridhar Ghagane declare that they have no conflicts of 
interest.


5. Phytomedicine. 2024 Oct 20;135:156165. doi: 10.1016/j.phymed.2024.156165.
Online  ahead of print.

Astragaloside IV and cycloastragenol promote liver regeneration through 
regulation of hepatic oxidative homeostasis and glucose/lipid metabolism.

Li Y(1), Yang X(2), Li X(2), Wang S(2), Chen P(2), Ma T(3), Zhang B(4).

Author information:
(1)Jiangsu Collaborative Innovation Center of Chinese Medicinal Resources 
Industrialization, Jiangsu Key Laboratory for High Technology Research of TCM 
Formulae, Nanjing University of Chinese Medicine, Nanjing 210023,PR China; 
School of Medicine, Nanjing University of Chinese Medicine, Nanjing 210023, PR 
China.
(2)School of Medicine, Nanjing University of Chinese Medicine, Nanjing 210023, 
PR China.
(3)Jiangsu Collaborative Innovation Center of Chinese Medicinal Resources 
Industrialization, Jiangsu Key Laboratory for High Technology Research of TCM 
Formulae, Nanjing University of Chinese Medicine, Nanjing 210023,PR China; 
School of Medicine, Nanjing University of Chinese Medicine, Nanjing 210023, PR 
China. Electronic address: matonghui@njucm.edu.cn.
(4)School of Medicine, Nanjing University of Chinese Medicine, Nanjing 210023, 
PR China. Electronic address: zhangbo@njucm.edu.cn.

BACKGROUND: The regenerative capacity of the liver is pivotal for mitigating 
various forms of liver injury and requires the rapid proliferation of 
hepatocytes. Aquaporin-9 (AQP9) provides vital support for hepatocyte 
proliferation by preserving hydrogen peroxide (H2O2) oxidative balance and 
glucose/lipid metabolism equilibrium within hepatocytes. Our previous study 
demonstrated that Radix Astragali (RA) decoction promotes liver regeneration by 
upregulating hepatic expression of AQP9, possibly via two major active 
constituents: astragaloside IV (AS-IV) and cycloastragenol (CAG).
PURPOSE: To verify that upregulated AQP9 expression in hepatocytes maintains 
liver oxidative balance and glucose/lipid metabolism homeostasis, and is the 
main pharmacological mechanism by which AS-IV and CAG promote liver 
regeneration.
STUDY DESIGN/METHODS: Effects of AS-IV and CAG on liver regeneration were 
scrutinized using a mouse model of 70 % partial hepatectomy (PHx). AQP9-targeted 
liver regeneration mediated by AS-IV and CAG was verified using AQP9 gene 
knockout mice (AQP9-/-). The AQP9 protein expression pattern in hepatocytes was 
determined using tdTomato-tagged AQP9 transgenic mice (AQP9-RFP). Potential 
mechanisms of AS-IV and CAG on liver regeneration were studied using real-time 
quantitative PCR, immunoblotting, staining with hematoxylin and eosin, oil red 
O, and periodic acid-Schiff, and immunofluorescence, immunohistochemistry, 
HyPerRed fluorescence, and biochemical analyses.
RESULTS: AS-IV and CAG promoted substantial liver regeneration and increased 
hepatic AQP9 expression in wild-type mice (AQP9+/+) following 70 % PHx, but had 
no discernible benefits in AQP9-/- mice. Both saponin compounds also helped 
maintain oxidative homeostasis by reducing levels of oxidative stress markers 
(reactive oxygen species [ROS], H2O2, and malondialdehyde) and elevating levels 
of ROS scavengers (glutathione and superoxide dismutase) in AQP9+/+ mice post-70 
% PHx. This further activated the PI3K-AKT and insulin signaling pathways, 
thereby fostering liver regeneration. Furthermore, AS-IV and CAG both promoted 
hepatocyte glycerol uptake, increased gluconeogenesis, facilitated lipolysis, 
reduced glycolysis, and inhibited glycogen deposition, thus ensuring the energy 
supply required for liver regeneration.
CONCLUSION: This research is the first to demonstrate AS-IV and CAG as major 
active ingredients of RA that promote liver regeneration by upregulating 
hepatocyte AQP9 expression, improving hepatocyte glucose/lipid metabolism, and 
reducing oxidative stress damage, constituting a crucial pharmacological 
mechanism underlying the liver-protective effects of RA. The augmentation of 
hepatocyte AQP9 expression underscores an important aspect of the Qi-tonifying 
effect of RA. This study establishes AQP9 as an effective target for regulation 
of liver regeneration and provides a universal strategy for clinical drug 
intervention aimed at enhancing liver regeneration.

Copyright © 2024 Elsevier GmbH. All rights reserved.

DOI: 10.1016/j.phymed.2024.156165
PMID: 39461202

Conflict of interest statement: Declaration of competing interest The authors 
declare that they have no conflicts of interest of this article.