Psychoactive Plant Database - Neuroactive Phytochemical Collection

1. Front Pharmacol. 2024 Oct 15;15:1465827. doi: 10.3389/fphar.2024.1465827. 
eCollection 2024.

Computational identification of Vernonia cinerea-derived phytochemicals as 
potential inhibitors of nonstructural protein 1 (NSP1) in dengue virus 
serotype-2.

Hossain MS(#)(1), Hasnat S(#)(2)(3), Akter S(4), Mim MM(1), Tahcin A(5), Hoque 
M(1), Sutradhar D(1), Keya MAA(1), Sium NR(1), Hossain S(6), Masuma R(1), Rakib 
SH(7), Islam MA(8), Islam T(3), Bhattacharya P(9), Hoque MN(2).

Author information:
(1)Department of Pharmacy, Jahangirnagar University, Dhaka, Bangladesh.
(2)Molecular Biology and Bioinformatics Laboratory, Department of Gynecology, 
Obstetrics and Reproductive Health, Bangabandhu Sheikh Mujibur Rahman 
Agricultural University, Gazipur, Bangladesh.
(3)Institute of Biotechnology and Genetic Engineering, Bangabandhu Sheikh 
Mujibur Rahman Agricultural University, Gazipur, Bangladesh.
(4)Department of Pharmacy, Comilla University, Comilla, Bangladesh.
(5)Department of Biochemistry and Molecular Biology, Noakhali Science and 
Technology University, Noakhali, Bangladesh.
(6)Department of Pharmacy, ASA University Bangladesh, Dhaka, Bangladesh.
(7)Electrical and Electronic Engineering, University of Asia Pacific, Dhaka, 
Bangladesh.
(8)Advanced Molecular Lab, Department of Microbiology, President Abdul Hamid 
Medical College, Karimganj, Bangladesh.
(9)COVID-19 Research, Department of Sustainable Development, Environmental 
Science and Engineering, KTH Royal Institute, Stockholm, Sweden.
(#)Contributed equally

BACKGROUND: Dengue virus (DENV) infection, spread by Aedes aegypti mosquitoes, 
is a significant public health concern in tropical and subtropical regions. 
Among the four distinct serotypes of DENV (DENV-1 to DENV-4), DENV-2 is 
associated with the highest number of fatalities worldwide. However, there is no 
specific treatment available for dengue patients caused by DENV-2.
OBJECTIVE: This study aimed to identify inhibitory phytocompounds in silico in 
Vernonia cinerea (V. cinerea), a widely used traditional medicinal plant, for 
treating DENV-2 associated illnesses.
METHODS: The chemical structures of 17 compounds from V. cinerea were sourced 
from the Indian Medicinal Plants, Phytochemistry, and Therapeutics (Vivek-Ananth, R. P., Mohanraj, K., Sahoo, A. K., & Samal, A. (2023). IMPPAT 2.0: An Enhanced and Expanded Phytochemical Atlas of Indian Medicinal Plants. ACS omega, 8(9), 8827–8845. https://doi.org/10.1021/acsomega.3c00156) 
database. These compounds underwent geometry optimization, were screened against 
nonstructural protein 1 (NSP1) of DENV-2, and further validated through 
molecular dynamics simulations (MDS). Baicalein, an established drug against 
DENV-2, was used for validation in molecular screening, MDS, and MM-GBSA 
analyses.
RESULTS: Among these compounds, Beta-amyrin, Beta-amyrin acetate, Chrysoeriol, 
Isoorientin, and Luteolin showed promising potential as inhibitors of the NSP1 
of DENV-2, supported by the results of thermodynamic properties, molecular 
orbitals, electrostatic potentials, spectral data and molecular screening. 
Besides, these compounds adhered to the Lipinski's "rule of 5", showing no 
hepatotoxicity/cytotoxicity, with mixed mutagenicity, immunotoxicity, and 
carcinogenicity. Furthermore, final validation through MDS confirmed their 
potential, demonstrating stable tendencies with significant inhibitory 
activities against NSP1 of DENV-2 over the control drug Baicalein. Among the 
screened compounds, Chrysoeriol emerged as the most promising inhibitor of NSP1 
of DENV-2, followed by Luteolin and Isoorientin.
CONCLUSION: Taken together, our results suggest that Chrysoeriol is the best 
inhibitor of NSP1 of DENV-2, which could be evaluated as a therapeutic agent or 
a lead compound to treat and manage DENV-2 infections.

Copyright © 2024 Hossain, Hasnat, Akter, Mim, Tahcin, Hoque, Sutradhar, Keya, 
Sium, Hossain, Masuma, Rakib, Islam, Islam, Bhattacharya and Hoque.

DOI: 10.3389/fphar.2024.1465827
PMCID: PMC11518830
PMID: 39474614

Conflict of interest statement: The authors declare that the research was 
conducted in the absence of any commercial or financial relationships that could 
be construed as a potential conflict of interest.


2. Nat Prod Res. 2024 Oct 26:1-6. doi: 10.1080/14786419.2024.2422525. Online
ahead  of print.

DNA profiling, nutritional value and phytochemical investigation of Cissus 
rotundifolia Lam. growing in Yemen.

El-Shiekh RA(1), Shalabi AA(1), Abdel-Sattar E(1).

Author information:
(1)Pharmacognosy Department, Faculty of Pharmacy, Cairo University, Cairo, 
Egypt.

Cissus rotundifolia Lam. (Vitaceae) is a wild plant that is commonly used as 
food and medicine. There are limited studies on the phytochemical composition of 
this plant. So, this study aims to investigate C. rotundifolia growing in Yemen 
phytochemically. HPLC analysis of C. rotundifolia aerial parts led to the 
identification and quantification of four compounds (isoorientin, quercetrin, 
quercetin, and linarin), among which isoorientin and quercetrin were the major. 
Proximate analysis showed high fibre content and low moisture content, whereas 
the nutritional values showed a high carbohydrate content which gave rise to 
higher nutritional value (266.39 Kcal.). Potassium, calcium, iron, magnesium, 
and vitamin E were present in high concentrations. Investigation of the 
methylene chloride and n-butanol fractions lead to the isolation of seven 
compounds: β-sitosterol, magnificol, β-sitosterol-glucoside, quercetin, 
quercetrin, isoorientin, and linarin. This is the first report on isolating 
these compounds from the investigated plant.

DOI: 10.1080/14786419.2024.2422525
PMID: 39460671


3. Pharmaceuticals (Basel). 2024 Oct 14;17(10):1368. doi: 10.3390/ph17101368.

Isoorientin Improves Excisional Skin Wound Healing in Mice.

Hora AB(1), Biano LS(2), Nascimento ACS(2), Camargo ZT(3), Heiden GI(4), 
Albulquerque-Júnior RLC(4), Grespan R(1), Aragão JMDA(2), Camargo EA(1)(2).

Author information:
(1)Graduate Program in Health Sciences, Federal University of Sergipe, São 
Cristóvão 49060-676, Brazil.
(2)Graduate Program in Physiological Sciences, Federal University of Sergipe, 
São Cristóvão 49107-230, Brazil.
(3)Graduate Program in Chemistry, Federal University of Sergipe, São Cristóvão 
49107-230, Brazil.
(4)Graduate Program in Dentistry, Federal University of Santa Catarina, 
Florianópolis 88040-900, Brazil.

Background/Objectives: Wound healing relies on a coordinated process with the 
participation of different mediators. Natural products are a source of active 
compounds with healing potential. Isoorientin is a natural flavone recognized as 
having several pharmacological properties, such as anti-inflammatory effects, 
making it a potential treatment for wounds. We investigated the effect of 
isoorientin on the healing of excisional skin wounds. Methods: Male Swiss mice 
were subjected to the induction of excisional skin wounds (6 mm diameter) and 
treated with a vehicle (2% dimethyl sulfoxide in propylene glycol) or 2.5% 
isoorientin applied topically once a day for 14 days. The wound area was 
measured on days 0, 3, 7, and 14. Histopathological analyses were performed on 
the cicatricial tissue after 14 days. The myeloperoxidase activity and the 
interleukin-1β, tumoral necrosis factor (TNF)-α, and interleukin-6 
concentrations were determined on the third day. Results: We observed that 3 
days after the topical application of isoorientin, the lesion area was 
significantly smaller when compared to those of the vehicle (p < 0.01) and 
control (p < 0.05) groups. No difference was observed after 7 and 14 days of 
induction. Despite this, on day 14, histological analysis of cicatricial tissue 
from the animals treated with isoorientin showed reduced epidermal thickness (p 
< 0.001) and increased collagen deposition (p < 0.001). These effects were 
accompanied by decreased myeloperoxidase activity and interleukin-1β 
concentration on the third day of induction, without alteration in TNF-α and 
interleukin-6. Conclusions: The treatment with isoorientin promoted better 
tissue repair in excisional wounds in mice, which may be linked to the 
modulation of the early inflammatory response.

DOI: 10.3390/ph17101368
PMCID: PMC11510251
PMID: 39459009

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


4. Plants (Basel). 2024 Oct 15;13(20):2888. doi: 10.3390/plants13202888.

The Influence of Sodium Humate on the Biosynthesis and Contents of Flavonoid 
Constituents in Lemons.

Xu N(1), Yang F(2), Dai W(1), Yuan C(1), Li J(2), Zhang H(1), Ren Y(1), Zhang 
M(1).

Author information:
(1)Faculty of Life Science and Technology, Kunming University of Science and 
Technology, Kunming 650500, China.
(2)Institute of Tropical and Subtropical Cash Crops, Yunnan Academy of 
Agricultural Sciences, Ruili 678600, China.

Sodium humate (SH) is the sodium salt of humic acid. Our previous research has 
demonstrated that SH has the ability to enhance the levels of total flavonoids 
in various parts of lemons, including the leaves, peels, pulps, and seeds, 
thereby improving the quality of lemons. In the current study, the regulation 
effect of SH on the biosynthesis and content of lemon flavonoid compounds was 
examined using transcriptome sequencing technology and flavonoid metabolomic 
analysis. Following SH treatment, the transcriptome sequencing analysis revealed 
320 differentially expressed genes (DEGs) between samples treated with SH and 
control (CK) samples, some of which were associated with the phenylalanine 
pathway by KEGG annotation analysis. The levels of seven flavonoid compounds 
identified in lemon peels were observed to increase, and eriocitrin and 
isoorientin were identified as differential metabolites (DMs, VIP > 1) using 
OPLS-DA analysis. The integrated analysis of transcriptomics and flavonoid 
metabolomics indicates that SH treatment induces alterations in gene expression 
and metabolite levels related to flavonoid synthesis. Specifically, SH 
influences flavonoid biosynthesis by modulating the activity of key enzymes in 
the phenylalanine pathway, including HCT (O-hydroxycinnamoyltransferase) and F5H 
(ferulate-5-hydroxylase).

DOI: 10.3390/plants13202888
PMCID: PMC11511212
PMID: 39458835

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


5. J Ethnopharmacol. 2024 Oct 17;337(Pt 3):118956. doi:
10.1016/j.jep.2024.118956.  Online ahead of print.

Swertia cincta and its main active ingredients regulate the PPAR-α pathway in 
anti-cholestatic liver injury.

Feng S(1), Tang J(1), Wei X(2), Lu Z(2), Xu Y(3), Zhang T(4), Han H(5).

Author information:
(1)School of Pharmacy, Shanghai University of Traditional Chinese Medicine, 
Shanghai, 201210, China.
(2)School of Traditional Chinese Medicine, Shanghai University of Traditional 
Chinese Medicine, Shanghai, 201210, China.
(3)School of Traditional Chinese Medicine, Shanghai University of Traditional 
Chinese Medicine, Shanghai, 201210, China. Electronic address: 
xuying.911@163.com.
(4)School of Pharmacy, Shanghai University of Traditional Chinese Medicine, 
Shanghai, 201210, China. Electronic address: zhangtdmj@hotmail.com.
(5)School of Pharmacy, Shanghai University of Traditional Chinese Medicine, 
Shanghai, 201210, China. Electronic address: pashanhan@126.com.

ETHNOPHARMACOLOGICAL RELEVANCE: Swertia cincta is a traditional remedy for 
cholestasis commonly utilised in Yunnan, China. Despite its widespread use, the 
specific active components and underlying mechanisms of action remain poorly 
understood.
AIM OF THIS STUDY: This study aimed to investigate the therapeutic properties, 
mechanisms, and active compounds of Swertia cincta in an animal model of 
cholestasis induced by alpha-naphthylisothiocyanate (ANIT).
MATERIALS AND METHODS: UHPLC/Q-TOF-MS and high-performance liquid chromatography 
(HPLC) were utilised to analyse the blood components of Swertia cincta. An 
ANIT-induced cholestatic liver injury animal model was established, and 
metabolomics was employed to explore the potential mechanisms of Swertia cincta 
in treating cholestatic liver injury. Hepatocellular injury induced by 
taurochenodeoxycholic acid was evaluated in vitro, and key bioactive components 
of Swertia cincta for cholestatic liver injury treatment were identified and 
confirmed using the ANIT-induced mouse model.
RESULTS: The established HPLC method demonstrates good specificity and 
reproducibility, enabling the simultaneous determination of six components in 
Swertia cincta. Results from serum biochemical indicators and liver pathology 
analysis indicated that Swertia cincta exhibits promising anti-cholestasis liver 
injury effects. Specifically, gentiopicroside, loganic acid, and isoorientin 
were identified as key active ingredients in treating cholestatic liver injury. 
Their mechanism of action primarily involves regulating PPAR-α, FXR, CYP3A4, 
NTCP, CAR, and CPT2. By modulating PPAR-α and bile acid metabolism-related 
proteins, reducing pro-inflammatory factors, enhancing bile acid transport, and 
promoting fatty acid oxidation to reduce lipid accumulation, Swertia cincta 
exerts protective and therapeutic effects against cholestatic liver injury. 
Notably, gentian bitter glycosides appear to be the most critical components for 
this effect.
CONCLUSION: Swertia cincta may improve cholestatic liver injury by activating 
the peroxisome proliferator-activated receptor alpha pathway, and the key active 
compounds were gentiopicroside, loganic acid, and isoorientin.

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

DOI: 10.1016/j.jep.2024.118956
PMID: 39423946

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.