Psychoactive Plant Database - Neuroactive Phytochemical Collection

1. Curr Comput Aided Drug Des. 2022 Sep 1. doi:
10.2174/1573409918666220901120750.  Online ahead of print.

Study on the effect of Pogostemon cablin Benth on skin aging based on network 
pharmacology.

Wu J(1), Pan L(2).

Author information:
(1)College of Traditional Chinese Medicine, Guangdong Pharmaceutical University, 
Guangdong, China.
(2)Guangzhou University City, Guangzhou City, Guangdong Province, College of 
traditional Chinese Medicine, Guangdong Pharmaceutical University.

BACKGROUND: At present, there is still little research on the anti-aging effect 
of Pogostemon cablin Benth (PCB) on human skin. In this paper, the mechanism of 
anti-aging effect of PCB on human skin was studied by using network pharmacology 
and molecular docking methods.
OBJECTIVE: To analyze the pharmacological mechanism of PCB in the treatment of 
skin aging, so as to provide reference for new drug development and clinical 
application.
METHODS: Active ingredients and related targets of PCB and skin aging-related 
disease targets are obtained through public databases, and the 
"drug-disease-target" and protein-protein interaction (PPI) network diagrams 
were constructed with the help of software to screen the core targets; Then GO 
analysis and KEGG pathway analysis were performed on the target; Finally, the 
molecular docking between the components and the targets were verified.
RESULTS: After screening, 112 intersection targets of active compounds of skin 
aging and PCB were obtained. Through GO and KEGG enrichment analysis, it is 
found that these biological processes mainly focus on epithelial cell 
proliferation, aging, growth factors, longevity regulation pathway, cancer 
pathway, AGE-RAGE signal pathway, PI3K Akt signal pathway and IL-17 signal 
pathway. The molecular docking results showed that quercetin, apigenin, 
irisnepalensis isoflavone, 3,23-dihydroxy-12-oleorene-28-oleic acid, 
5-hydroxy-7,4'- dimethoxyflavone and other major compounds were connected with 
TP53, JUN, HSP90AAL, AKT1 and MAPK1 through hydrogen bonds, and there was high 
binding energy between them.
CONCLUSION: Through multi-target prediction and molecular docking verification, 
it shows that PCB provides a strong effect in the treatment of skin aging, which 
provides a reference for its further research.

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

DOI: 10.2174/1573409918666220901120750
PMID: 36056869


2. ACS Omega. 2022 Apr 26;7(18):15637-15646. doi: 10.1021/acsomega.2c00439. 
eCollection 2022 May 10.

Phytochemical Constituents of Aquilaria malaccensis Leaf Extract and Their 
Anti-Inflammatory Activity against LPS/IFN-γ-Stimulated RAW 264.7 Cell Line.

Eissa MA(1)(2), Hashim YZH(1), Abdul Azziz SSS(3), Salleh HM(1), Isa MLM(4), Abd 
Warif NM(5), Abdullah F(6), Ramadan E(7)(2), El-Kersh DM(8)(2).

Author information:
(1)International Institute for Halal Research and Training (INHART), 
International Islamic University Malaysia, 53100 Gombak, Selangor, Malaysia.
(2)Center for Drug Research and Development (CDRD), The British University in 
Egypt (BUE), Cairo 11837, Egypt.
(3)Faculty of Science and Mathematics, Sultan Idris Education University, 35900 
Tanjung Malim, Perak, Malaysia.
(4)Department of Basic Medical Sciences for Nursing, Kulliyah of Nursing, 
International Islamic University Malaysia, 25200 Kuantan, Pahang, Malaysia.
(5)Biomedical Sciences Program, Faculty of Health Sciences, Universiti 
Kebangsaan Malaysia, 50300 Kuala Lumpur, Malaysia.
(6)Phytochemistry Program, Natural Products Division, Forest Research Institute 
Malaysia, 52109 Kepong, Selangor, Malaysia.
(7)Department of Pharmacology and Toxicology, Faculty of Pharmacy, The British 
University in Egypt (BUE), Cairo 11837, Egypt.
(8)Pharmacognosy Department, Faculty of Pharmacy, The British University in 
Egypt  (BUE), Cairo 11837, Egypt.

This study aims to identify the major phytochemical constituents in Aquilaria 
malaccensis (Thymelaeaceae) ethanolic leaf extract (ALEX-M) and elucidate their 
ability to suppress nitric oxide (NO) production from a murine macrophage-like 
cell line (RAW 264.7) stimulated by lipopolysaccharide (LPS) and interferon-γ 
(IFN-γ). Dichloromethane (DCM) and ethyl acetate (EtOAc) fractions of ALEX-M 
were subjected to column chromatography. Eight known compounds were isolated for 
the first time from this species. Compounds were identified using spectroscopic 
techniques (IR, UV, HRESIMS, and 1D and 2D NMR). Anti-inflammatory activity of 
both extract and isolated compounds were investigated in vitro. The fractions 
offered the isolation of epifriedelanol (1), 5-hydroxy-7,4'-dimethoxyflavone 
(2), luteolin-7,3',4'-trimethyl ether (3), luteolin-7,4'-dimethyl ether (4), 
acacetin (5), aquilarinenside E (6), iriflophenone-2-O-α-l-rhamnopyranoside (7), 
and iriflophenone-3-C-β-glucoside (8). The findings suggest the pharmacological 
potential of the crude extract (ALEX-M) and its isolates as natural 
anti-inflammatory agents, capable of suppressing NO production in RAW 264.7 
cells stimulated by LPS/IFN-γ.

© 2022 The Authors. Published by American Chemical Society.

DOI: 10.1021/acsomega.2c00439
PMCID: PMC9096934
PMID: 35571776

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


3. J Ethnopharmacol. 2023 Jan 30;301:115170. doi: 10.1016/j.jep.2022.115170. Epub
 2022 Mar 28.

Cytotoxicity and antimicrobial activity of isolated compounds from Monsonia 
angustifolia and Dodonaea angustifolia.

Mcotshana ZKS(1), McGaw LJ(2), Kemboi D(1), Fouche G(3), Famuyide IM(2), Krause 
RWM(4), Siwe-Noundou X(5), Tembu VJ(6).

Author information:
(1)Department of Chemistry, Tshwane University of Technology, Private Bag X680, 
Arcadia, 0001, South Africa.
(2)Phytomedicine Programme, Department of Paraclinical Sciences, University of 
Pretoria, Private Bag X04, Onderstepoort, 0110, South Africa.
(3)Department of Chemistry, University of Pretoria, Private Bag X20, Hatfield, 
0028, South Africa.
(4)Department of Chemistry, Rhodes University, Makhanda, 6140, South Africa.
(5)Department of Pharmaceutical Sciences, Sefako Makgatho Health Sciences 
University, Pretoria, 0204, South Africa.
(6)Department of Chemistry, Tshwane University of Technology, Private Bag X680, 
Arcadia, 0001, South Africa. Electronic address: Tembuvj@tut.ac.za.

ETHNOPHARMACOLOGICAL RELEVANCE: Monsonia angustifolia is traditionally used to 
treat anthrax, heartburn, diarrhea, eye infections and hemorrhoids. Dodonaea 
angustifolia is frequently used as a treatment for dental pain, microbial 
infections and jungle fever. The two plant species were selected due to the 
presence of secondary metabolites such as coumarins, flavonoids, terpenoids, 
saponins and polyphenolics from the crude extracts, which exhibit 
pharmacological significance. The pure isolated compounds from the crude 
extracts are known for their diverse structures and interesting pharmacophores.
AIM: To isolate and identify antibacterial and antifungal chemical constituents 
from Monsonia angustifolia and Dodonaea angustifolia plant extracts and evaluate 
the cytotoxicity of pure compounds from the crude extracts.
MATERIALS AND METHODS: Extractives from M. angustifolia and D. angustifolia 
plants were isolated using chromatographic techniques and structures were 
elucidated based on NMR, IR and MS spectroscopic techniques. A microplate serial 
dilution method was used to evaluate the antibacterial activity of extracts and 
pure compounds against Escherichia coli, Staphylococcus aureus, Pseudomonas 
aeruginosa and antifungal activity against Candida albicans and Cryptococcus 
neoformans. The cytotoxicity was determined using the 3-(4, 
5-dimethylthiazol)-2, 5-diphenyl tetrazolium bromide (MTT) assay.
RESULTS: The dichloromethane, ethyl acetate and methanol crude extracts from the 
plants exhibited significant inhibition of microbial growth. The phytochemical 
investigation of these active crude extracts led to the isolation of five pure 
active compounds, 5-methoxyjusticidin A (1), cis-phytyl diterpenoidal fatty acid 
ester (2), stigmasterol (3), β-sitosterol (4) and 
5-hydroxy-7,4'-dimethoxyflavone (5). Stigmasterol (3) showed good antifungal 
activity against Cryptococcus neoformans with a minimum inhibition concentration 
(MIC) of 25 μg/mL and Candida albicans (MIC = 50 μg/mL).
CONCLUSION: Compounds (1-5) isolated from Monsonia angustifolia and Dodonaea 
angustifolia showed antibacterial and antifungal activities and were non-toxic 
against Madin-Darby canine kidney (MDCK) cells and VERO monkey kidney (VERO) 
cells.

Copyright © 2022. Published by Elsevier B.V.

DOI: 10.1016/j.jep.2022.115170
PMID: 35358625 [Indexed for MEDLINE]

Conflict of interest statement: Declaration of competing interest Authors 
declare no competing interests.


4. Molecules. 2021 Aug 5;26(16):4732. doi: 10.3390/molecules26164732.

Antifungal Activity of Isolated Compounds from the Leaves of Combretum 
erythrophyllum (Burch.) Sond. and Withania somnifera (L.) Dunal against Fusarium 
Pathogens.

Seepe HA(1)(2), Ramakadi TG(2), Lebepe CM(2), Amoo SO(1)(3)(4), Nxumalo W(2).

Author information:
(1)Agricultural Research Council-Vegetables, Industrial and Medicinal Plants, 
Roodeplaat, Private Bag X293, Pretoria 0001, South Africa.
(2)Department of Chemistry, University of Limpopo, Private Bag X1106, Sovenga 
0727, South Africa.
(3)Indigenous Knowledge Systems Centre, Faculty of Natural and Agricultural 
Sciences, North-West University, Private Bag X2046, Mmabatho 2735, South Africa.
(4)Department of Botany and Plant Biotechnology, Faculty of Science, University 
of Johannesburg, P.O. Box 524, Auckland Park 2006, South Africa.

Crop diseases caused by Fusarium pathogens, among other microorganisms, threaten 
crop production in both commercial and smallholder farming. There are increasing 
concerns about the use of conventional synthetic fungicides due to fungal 
resistance and the associated negative effects of these chemicals on human 
health, livestock and the environment. This leads to the search for alternative 
fungicides from nature, especially from plants. The objectives of this study 
were to characterize isolated compounds from Combretum erythrophyllum (Burch.) 
Sond. and Withania somnifera (L.) Dunal leaf extracts, evaluate their antifungal 
activity against Fusarium pathogens, their phytotoxicity on maize seed 
germination and their cytotoxicity effect on Raw 264.7 macrophage cells. The 
investigation led to the isolation of antifungal compounds characterized as 
5-hydroxy-7,4'-dimethoxyflavone, maslinic acid 
(21-hydroxy-3-oxo-olean-12-en-28-oic acid) and withaferin A 
(4β,27-dihydroxy-1-oxo-5β,6β-epoxywitha-2-24-dienolide). The structural 
elucidation of the isolated compounds was established using nuclear magnetic 
resonance (NMR) spectroscopy, mass spectroscopy (MS) and, in comparison, with 
the available published data. These compounds showed good antifungal activity 
with minimum inhibitory concentrations (MIC) less than 1.0 mg/mL against one or 
more of the tested Fusarium pathogens (F. oxysporum, F. verticilloides, F. 
subglutinans, F. proliferatum, F. solani, F. graminearum, F. chlamydosporum and 
F. semitectum). The findings from this study indicate that medicinal plants are 
a good source of natural antifungals. Furthermore, the isolated antifungal 
compounds did not show any phytotoxic effects on maize seed germination. The 
toxicity of the compounds A (5-hydroxy-7,4'-dimethoxyflavone) and AI 
(4β,27-dihydroxy-1-oxo-5β,6β-epoxywitha-2-24-dienolide) was dose-dependent, 
while compound B (21-hydroxy-3-oxo-olean-12-en-28-oic acid) showed no toxicity 
effect against Raw 264.7 macrophage cells.

DOI: 10.3390/molecules26164732
PMCID: PMC8401019
PMID: 34443320 [Indexed for MEDLINE]

Conflict of interest statement: The authors declare no conflict of interest. The 
funder had no role in the design of the study, in the collection, analyses or 
interpretation of the data, in the writing of the manuscript or in the decision 
to publish the results.


5. J Ethnopharmacol. 2021 May 10;271:113884. doi: 10.1016/j.jep.2021.113884. Epub
 2021 Jan 30.

Bioactivity of fractions and constituents of Piper capense fruits towards a 
broad panel of cancer cells.

Mbaveng AT(1), Wamba BEN(2), Bitchagno GTM(3), Tankeo SB(4), Çelik İ(5), Atontsa 
BCK(6), Nkuété Lonfouo AH(7), Kuete V(8), Efferth T(9).

Author information:
(1)Department of Pharmaceutical Biology, Institute of Pharmaceutical and 
Biomedical Sciences, Johannes Gutenberg University, Staudinger Weg 5, 55128, 
Mainz, Germany; Department of Biochemistry, Faculty of Science, University of 
Dschang, Dschang, Cameroon. Electronic address: armbatsa@yahoo.fr.
(2)Department of Biochemistry, Faculty of Science, University of Dschang, 
Dschang, Cameroon. Electronic address: wambaelvis@yahoo.fr.
(3)Department of Chemistry, Faculty of Science, University of Dschang, Dschang, 
Cameroon. Electronic address: bmgt198716@ymail.com.
(4)Department of Pharmaceutical Biology, Institute of Pharmaceutical and 
Biomedical Sciences, Johannes Gutenberg University, Staudinger Weg 5, 55128, 
Mainz, Germany; Department of Biochemistry, Faculty of Science, University of 
Dschang, Dschang, Cameroon. Electronic address: simplicetankeo@yahoo.fr.
(5)Department of Chemistry, Faculty of Science, Eskişehir Technical University, 
26470, Eskişehir, Turkey. Electronic address: ilcelik@gmail.com.
(6)Department of Chemistry, Faculty of Science, University of Dschang, Dschang, 
Cameroon. Electronic address: briceatontsa@gmail.com.
(7)Department of Chemistry, Faculty of Science, University of Dschang, Dschang, 
Cameroon. Electronic address: hantoineit@yahoo.fr.
(8)Department of Pharmaceutical Biology, Institute of Pharmaceutical and 
Biomedical Sciences, Johannes Gutenberg University, Staudinger Weg 5, 55128, 
Mainz, Germany; Department of Biochemistry, Faculty of Science, University of 
Dschang, Dschang, Cameroon. Electronic address: kuetevictor@yahoo.fr.
(9)Department of Pharmaceutical Biology, Institute of Pharmaceutical and 
Biomedical Sciences, Johannes Gutenberg University, Staudinger Weg 5, 55128, 
Mainz, Germany. Electronic address: efferth@uni-mainz.de.

ETHNOPHARMACOLOGICAL RELEVANCE: Piper capense is a medicinal spice whose fruits 
are traditionally used as aqueous decoction to heal several ailments such as 
trypanosomiasis, helminthic infections, and cancer.
AIM OF THE STUDY: (1) To perform phytochemical investigation of the methanol 
extract of Piper capense; (2) to evaluate the cytotoxicity of botanicals (PCF, 
fractions PCFa-e), isolated phytochemicals on a broad panel of animal and human 
cancer cell lines; (3) to evaluate the induction of apoptosis of the most active 
samples.
MATERIAL AND METHODS: Resazurin reduction assay (RRA) was used to determine the 
cytotoxicity of the studied samples. Cell cycle distribution (PI staining), 
apoptosis (annexin V/PI staining), mitochondrial membrane potential (MMP; JC-1) 
and reactive oxygen species (ROS; H2DCFH-DA) were measured by flow cytometry. 
Column chromatography (CC) was used for the purification of PCF, whilst nuclear 
magnetic resonance (NMR) spectroscopic and mass spectrometric (MS) analyses were 
applied for structural elucidation.
RESULTS: The phytochemical investigation of PCF led to the isolation of 11 
compounds: licarin B (1), licarin A (2), 
7-(1,3-benzodioxol-5-yl)-7,8-dihydro-8-methyl-5-(2-propenyl)-furo[3,2-e]-1,3-benzodioxole 
(3), nitidine isocyanate (4), 5-hydroxy-7,4'-dimethoxyflavone (5), cardamomin 
(6), sitosterol (7) and stigmasterol (8), β-sitosterol 3-O-β-D-glucopyranoside 
(9), oleanolic acid (10) and lupeol (11). Fraction PCFb, compound 2 and 
doxorubicin (as positive control drug) revealed cytotoxic effects towards the 18 
tested cancer cell lines. The IC50 values ranged from 6.1 μg/mL (against 
CCRF-CEM cells) to 44.2 μg/mL (against BRAF-V600E homozygous mutant melanoma 
cells) for PSCb; from 4.3 μM (against CCRF-CEM cells) to 21.8 μM (against HCT116 
p53-/-) for compound 2 and from 0.02 μM (against CCRF-CEM cells) to 123.0 μM 
(against CEM/ADR5000 cells) for doxorubicin. PCFb and compound 2 induced 
apoptosis in CCRF-CEM cells mediated by activation of caspase 3/7, 8 and 9, MMP 
alteration and increased ROS production.
CONCLUSION: Piper capense is a source of potent cytotoxic botanicals and 
phytochemicals that could help to fight various types of cancer including 
multidrug resistance phenotypes. PCFb and compound 2 should further be explored 
to develop new drugs to fight malignancies.

Copyright © 2021 Elsevier B.V. All rights reserved.

DOI: 10.1016/j.jep.2021.113884
PMID: 33529639 [Indexed for MEDLINE]