Psychoactive Plant Database - Neuroactive Phytochemical Collection

1. Biosens Bioelectron. 2024 Nov 1;268:116904. doi: 10.1016/j.bios.2024.116904. 
Online ahead of print.

Designing a whole-cell biosensor applicable for 
S-adenosyl-l-methionine-dependent methyltransferases.

Zhen Z(1), Xiang L(2), Li S(1), Li H(1), Lei Y(1), Chen W(2), Jin JM(3), Liang 
C(4), Tang SY(5).

Author information:
(1)Department of Microbial Physiological & Metabolic Engineering, State Key 
Laboratory of Microbial Resources, Institute of Microbiology, Chinese Academy of 
Sciences, 100101, Beijing, China; University of Chinese Academy of Sciences, 
100049, Beijing, China.
(2)Department of Microbial Physiological & Metabolic Engineering, State Key 
Laboratory of Microbial Resources, Institute of Microbiology, Chinese Academy of 
Sciences, 100101, Beijing, China.
(3)Beijing Key Laboratory of Plant Resources Research and Development, Beijing 
Technology and Business University, 100048, Beijing, China. Electronic address: 
jinjianming@btbu.edu.cn.
(4)Department of Microbial Physiological & Metabolic Engineering, State Key 
Laboratory of Microbial Resources, Institute of Microbiology, Chinese Academy of 
Sciences, 100101, Beijing, China. Electronic address: laraineliang@163.com.
(5)Department of Microbial Physiological & Metabolic Engineering, State Key 
Laboratory of Microbial Resources, Institute of Microbiology, Chinese Academy of 
Sciences, 100101, Beijing, China. Electronic address: tangsy@im.ac.cn.

This study was undertaken to develop a high-throughput screening strategy using 
a whole-cell biosensor to enhance methyl-group transfer, a rate-limiting step 
influenced by intracellular methyl donor availability and methyltransferase 
efficiency. An l-homocysteine biosensor was designed based on regulatory protein 
MetR from Escherichia coli, which rapidly reported intracellular l-homocysteine 
accumulation resulted from S-adenosyl-l-homocysteine (SAH) formation after 
methyl-group transfer. Using S-adenosyl-l-methionine (SAM) as a methyl donor, 
this biosensor was applied to caffeic acid 3-O-methyltransferase derived from 
Arabidopsis thaliana (AtComT). After several rounds of directed evolution, the 
modified enzyme achieved a 13.8-fold improvement when converting caffeic acid to 
ferulic acid. The best mutant exhibited a 5.4-fold improvement in catalytic 
efficiency. Characterization of beneficial mutants showed that improved 
O-methyltransferase dimerization greatly contributed to enzyme activity. This 
finding was verified when we switched and compared the N-termini involved in 
dimerization across different sources. Finally, with tyrosine as a substrate, 
the evolved AtComT mutant greatly improved ferulic acid biosynthesis, yielding 
3448 mg L-1 with a conversion rate of 88.8%. These results have important 
implications for high-efficiency O-methyltransferase design, which will greatly 
benefit the biosynthesis of a wide range of natural products. In addition, the 
l-homocysteine biosensor has the potential for widespread applications in 
evaluating the efficiency of SAM-based methyl transfer.

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

DOI: 10.1016/j.bios.2024.116904
PMID: 39504884

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.


2. Food Chem. 2024 Oct 18;464(Pt 2):141683. doi: 10.1016/j.foodchem.2024.141683. 
Online ahead of print.

Geographic origin characterization of Brazilian green coffee beans via 
untargeted metabolomics.

Pimenta JVC(1), Dos Santos LB(1), Almeida MR(1), Augusti R(1), de Macedo AN(2).

Author information:
(1)Department of Chemistry, Universidade Federal de Minas Gerais, Av. Antônio 
Carlos, 6627 Belo Horizonte, Brazil.
(2)Department of Chemistry, Universidade Federal de Minas Gerais, Av. Antônio 
Carlos, 6627 Belo Horizonte, Brazil. Electronic address: 
adrianamacedo@qui.ufmg.br.

Coffee is a widely popular beverage worldwide, known for its distinct sensory 
properties which are greatly affected by geographical origin. Herein, we 
performed an untargeted metabolomic evaluation of green coffee beans (n = 40) 
from four different regions in Brazil: Cerrado Mineiro, Sul de Minas, Caparaó, 
and Mogiana Paulista; by using UHPLC-HRMS (ultra-high performance liquid 
chromatography coupled with high-resolution mass spectrometry). The most 
significant metabolites responsible for coffee characterization were 
theobromine, zeatin, phenylacetaldehyde, 2-acetyl-1-pyrroline, chlorogenic 
acids, ferulic acid, p-coumaric acid, abscisic acid, and jasmonic acid. Our 
findings demonstrate that the green coffee cultivated in Cerrado Mineiro, the 
most valuable among the four samples evaluated, exhibits a unique and typical 
metabolite profile, setting it apart from the coffee beans grown in other 
regions. Finally, the findings reported may be relevant for coffee producers in 
the Cerrado Mineiro area, as they contribute to establishing a certificate of 
origin for their high-quality product.

Copyright © 2024. Published by Elsevier Ltd.

DOI: 10.1016/j.foodchem.2024.141683
PMID: 39503088

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.


3. J Mycol Med. 2024 Oct 24;34(4):101513. doi: 10.1016/j.mycmed.2024.101513.
Online  ahead of print.

Rumex japonicus Houtt. Leaves: The chemical composition and anti-fungal 
activity.

Xiao D(1), Sun H(2), Li X(3), Meng F(4), Sun T(5), Shao X(6), Ding Y(7), Li 
Y(8).

Author information:
(1)Department of School of Pharmaceutical Sciences, Changchun University of 
Chinese Medicine, Changchun, 130117 Jilin, PR China. Electronic address: 
20203892018@stu.ccucm.edu.cn.
(2)Department of School of Pharmaceutical Sciences, Changchun University of 
Chinese Medicine, Changchun, 130117 Jilin, PR China. Electronic address: 
21203089220@stu.ccucm.edu.cn.
(3)Department of School of Pharmaceutical Sciences, Changchun University of 
Chinese Medicine, Changchun, 130117 Jilin, PR China. Electronic address: 
22203089213@stu.ccucm.edu.cn.
(4)Department of School of Pharmaceutical Sciences, Changchun University of 
Chinese Medicine, Changchun, 130117 Jilin, PR China. Electronic address: 
22203089214@stu.ccucm.edu.cn.
(5)Department of School of Pharmaceutical Sciences, Changchun University of 
Chinese Medicine, Changchun, 130117 Jilin, PR China. Electronic address: 
22203089218@stu.ccucm.edu.cn.
(6)Department of School of Pharmaceutical Sciences, Changchun University of 
Chinese Medicine, Changchun, 130117 Jilin, PR China. Electronic address: 
21203089212@stu.ccucm.edu.cn.
(7)Department of School of Pharmaceutical Sciences, Changchun University of 
Chinese Medicine, Changchun, 130117 Jilin, PR China. Electronic address: 
dingyl@ccucm.edu.cn.
(8)Department of School of Pharmaceutical Sciences, Changchun University of 
Chinese Medicine, Changchun, 130117 Jilin, PR China. Electronic address: 
liyong@ccucm.edu.cn.

BACKGROUND: Candida albicans is a pathogenic commensal fungus. Trichophyton 
mentagrophytes and Trichophyton rubrum are the leading pathogens of 
dermatophysis. Rumex japonicus Houtt. has a miraculous effect on the treatment 
of tinea skin disease, but its mechanism has not been clarified.
PURPOSE: This paper investigated the anti-fungal ingredients of the leaves of 
Rumex japonicus Houtt. (RJH-L) and the mechanism of the anti-fungal 
(Trichophyton mentagrophytes, Trichophyton rubrum and Candida albicans).
METHOD: First, the chemical composition analysis of RJH-L was conducted by acid 
extraction and alcohol precipitation, high performance liquid chromatography 
(HPLC) and nuclear magnetic resonance spectroscopy (NMR); in vitro anti-fungal 
experiments were carried out, including the minimum inhibitory concentration 
(MIC) and the minimum fungicidal concentration (MFC) spore germination rate, 
germ tube production rate, nucleic acid and protein leakage rate, biofilm 
structure, PCR, etc., to study the mechanism of action of RJH-L anti-fungal and 
anti-biofilm activity.
RESULT: Seven monomer compounds were obtained: anthraquinones (rhein, emodin and 
aloe-emodin); polyphenols (ferulic acid, p-coumaric acid), and flavonoids (rutin 
and quercetin). The results of in vitro anti-fungal experiments showed that the 
extracts of RJH-L had strong inhibitory effect on both fungi (MIC: 1.96 
µg/mL-62.50 µg/mL), of which emodin had the strongest effect on Trichophyton 
mentagrophytes; and rhein had the strongest effect on Candida albicans and 
Trichophyton rubrum. The above active components can inhibit the germination of 
fungal spores and germ tube, change cell membrane permeability, prevent hyphal 
growth, destroy the biofilm structure, and down-regulate the expression of 
agglutinin-like sequencefamily1 of biofilm growth.
CONCLUSION: This study shows that RJH-L are rich in polyphenols, flavonoids, and 
anthraquinones, and play a fungicidal role.

Copyright © 2024 SFMM. Published by Elsevier Masson SAS. All rights reserved.

DOI: 10.1016/j.mycmed.2024.101513
PMID: 39500231

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


4. Drug Des Devel Ther. 2024 Oct 31;18:4859-4875. doi: 10.2147/DDDT.S475838. 
eCollection 2024.

Integrated Metabolomics and Network Pharmacology Study on the Mechanism of 
Rehmanniae radix Extract for Treating Thrombosis.

Du H(1)(2)(3), Zhang S(1), Yuan K(4), Yang Z(5), Wu M(4).

Author information:
(1)Department of Pharmacy, West China Hospital, Sichuan University, Chengdu, 
Sichuan, People's Republic of China.
(2)Department of Pharmacy, Sichuan Public Health Clinical Center, Chengdu, 
Sichuan, People's Republic of China.
(3)State Key Laboratory of Southwestern Chinese Medicine Resources, Pharmacy 
School, Chengdu University of Traditional Chinese Medicine, Chengdu, Sichuan, 
People's Republic of China.
(4)Department of Pharmacy, Sichuan Orthopedic Hospital, Chengdu, Sichuan, 
People's Republic of China.
(5)Department of Nuclear Medicine, Chengdu Second People's Hospital, Chengdu, 
Sichuan, People's Republic of China.

BACKGROUND: Rehmanniae Radix (RR) has received attention for its antithrombotic 
effect. However, few studies have independently explored the bioactive 
components responsible for its antithrombotic bioactivity and the potential 
mechanism. We aimed to reveal the antithrombotic mechanisms of RR by using 
metabolomics integrated with network pharmacology.
METHODS: A thrombosis model was established by intraperitoneal injection of type 
I carrageenan in rats, and antithrombotic function was evaluated at different 
doses of RR. Metabolomics was used to identify the differential metabolites in 
the serum. Network pharmacology was then applied to identify the potential 
targets for the antithrombotic activity of the RR. An integrated network of 
metabolomics and network pharmacology was constructed using Cytoscape. Finally, 
key targets were verified using molecular docking.
RESULTS: RR at 5.4 g/kg significantly alleviated the thrombosis. Thirteen 
potentially significant metabolites were involved in the therapeutic effects of 
RR against thrombosis, most of which were regulated for recovery after RR 
treatment. An integrated analysis of metabolomics and network pharmacology 
showed that the antithrombosis effect of RR was closely associated with the 
regulation of PLA2G2A, PTGS1, ALOX5, and CYP2C9. Molecular docking showed high 
affinity between the key targets and components of RR. We speculated that the 
components of RR, such as catalpol, ferulic acid methyl ester, and methyl 
4-hydroxycinnamate, might act on key proteins, including PLA2G2A, PTGS1, and 
ALOX5, to exert antithrombosis effects.
CONCLUSION: This study confirmed the antithrombotic effect of high-dose RR, 
revealed the antithrombotic mechanism and potential material basis, and laid the 
foundation for the antithrombotic clinical application of RR. Furthermore, it 
provides a successful case reference for screening natural herbal components and 
exploring their potential pharmacological mechanisms.

© 2024 Du et al.

DOI: 10.2147/DDDT.S475838
PMCID: PMC11533886
PMID: 39497835 [Indexed for MEDLINE]

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


5. J Med Food. 2024 Nov 4. doi: 10.1089/jmf.2024.0156. Online ahead of print.

Hypoglycemic Activity of the Hydroalcoholic Extract of Porophyllum ruderale in 
CD1 Mice.

Vázquez-Atanacio MJ(1)(2), Bautista M(2), de la O-Arciniega M(2), 
Castañeda-Ovando A(3), González-Cortazar M(4), Peláez-Acero A(1), Ojeda-Ramírez 
D(1).

Author information:
(1)Área Académica de Medicina Veterinaria y Zootecnia, Instituto de Ciencias 
Agropecuarias, Universidad Autónoma del Estado de Hidalgo, Tulancingo, México.
(2)Área Académica de Farmacia, Instituto de Ciencias de la Salud, Universidad 
Autónoma del Estado de Hidalgo, San Agustín Tlaxiaca, Mexico.
(3)Área Académica de Química de Alimentos, Instituto de Ciencias Básicas e 
Ingenierías, Universidad Autónoma del Estado de Hidalgo, Pachuca de Soto, 
Mexico.
(4)Centro de Investigación Biomédica del Sur, Instituto Mexicano del Seguro 
Social, Xochitepec, Mexico.

Diabetes, considered one of the main causes of death in the Mexican population, 
is a chronic disease caused by alterations in the synthesis of pancreatic 
insulin or because it is not used effectively by the body. Insufficient action 
of insulin causes hyperglycemia, which, if not controlled, causes damage to 
blood capillaries and nerve endings over time, affecting the functioning of 
various organs and systems. As mentioned above, controlling glucose levels in 
the population suffering from chronic diseases becomes an essential part of 
their treatment. The aim of this study was to evaluate the hypoglycemic effect 
of a hydroalcoholic extract of the aerial parts of Porophyllum ruderale (HEPr). 
A glucose tolerance curve was developed by monitoring at different times (0-120 
min) glucose levels in blood samples taken from an apical tail slice of CD1 
mice. HEPr showed a significant effect from baseline on basal glucose levels 
(114.33 ± 14.74 mg/dL) compared with the control group (60.33 ± 4.16 mg/dL) and 
the metformin-treated group (129 ± 13 mg/dL). In addition, the values at the end 
of the tolerance curve (120 min) showed a significant decrease in the study 
group (66 ± 10.39 mg/dL) compared with the metformin-treated group (108.67 ± 
4.50 mg/dL). This effect can be attributed to the presence of chlorogenic acid, 
cryptochlorogenic acid, ferulic acid, quercetin, and kaempferol 3-O-glucosides 
in HEPr. In conclusion, P. ruderale constitutes an important source of compounds 
for use as an adjuvant treatment for the control of hypoglycemia in different 
chronic diseases.

DOI: 10.1089/jmf.2024.0156
PMID: 39496277