Psychoactive Plant Database - Neuroactive Phytochemical Collection

1. 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.


2. Food Chem. 2024 Oct 28;464(Pt 2):141795. doi: 10.1016/j.foodchem.2024.141795. 
Online ahead of print.

The impact of milling degree on physicochemical, nutritional, rheological, 
textural properties, and in vitro digestibility of rice: From brown rice to 
white rice.

Yılmaz Tuncel N(1), Andac AE(2), Polat Kaya H(3), Tuncel NB(2).

Author information:
(1)Onsekiz Mart University, Faculty of Applied Sciences, Department of Food 
Technology, Çanakkale 17100, Turkey. Electronic address: neseyilmaz@comu.edu.tr.
(2)Onsekiz Mart University, Faculty of Engineering, Department of Food 
Engineering, Çanakkale 17100, Turkey.
(3)Onsekiz Mart University, Faculty of Applied Sciences, Department of Food 
Technology, Çanakkale 17100, Turkey.

The objective of this study was to characterize the rice milling fractions 
acquired at each stage of a commercial milling system. This characterization 
included an analysis of color, ash content, dietary fiber, mineral composition, 
as well as antinutritional compounds like phytic acid, trypsin inhibitor 
activity, and saponin. Additionally, we investigated in vitro starch and in 
vitro protein digestibility, along with pasting, cooking, and textural 
properties. Our findings revealed that milling improved the visual appeal of 
rice (e.g., volume expansion, weight gain, whiteness) and notably enhanced its 
starch digestibility. However, milling reduced dietary fiber, mineral content, 
antinutrients, cooking time, and texture characteristics such as hardness, 
chewiness, gumminess, springiness, and cohesiveness to varying degrees. Certain 
parameters, such as dietary fiber, exhibited a gradual change with the duration 
of milling, while others, such as mineral content and texture, showed 
significant variation at the initial stage of milling, particularly at the first 
mill.

Copyright © 2024 Elsevier Ltd. All rights reserved.

DOI: 10.1016/j.foodchem.2024.141795
PMID: 39488162

Conflict of interest statement: Declaration of competing interest On behalf of 
all authors, the corresponding authors states the following: The authors have no 
conflict of interest.


3. Cureus. 2024 Sep 30;16(9):e70491. doi: 10.7759/cureus.70491. eCollection 2024 
Sep.

Phytochemical Analysis and Evaluation of Antioxidant, Antidiabetic, and 
Anti-inflammatory Properties of Aegle marmelos and Its Validation in an In-Vitro 
Cell Model.

Venkatesan S(1), Rajagopal A(1), Muthuswamy B(2), Mohan V(3), Manickam N(1).

Author information:
(1)Department of Vascular Biology, Madras Diabetes Research Foundation; 
Affiliated to University of Madras, Chennai, IND.
(2)Department of Cell and Molecular Biology, Madras Diabetes Research 
Foundation; Affiliated to University of Madras, Chennai, IND.
(3)Department of diabetology, Madras Diabetes Research Foundation; Dr. Mohan's 
Diabetes Specialities Centre, Chennai, IND.

INTRODUCTION: Persistent hyperglycemia significantly increases oxidative stress 
and inflammation resulting in multiple cellular and molecular alterations which 
further exacerbate the diabetes associated complications. Aegle marmelos (L.) 
Corrêa is a medicinal plant used in the Indian system of medicine for treating 
various disorders including diabetes. However, studies on phytoconstituents and 
their pharmacological activity of this plant are limited. Therefore, we aimed to 
determine the phytochemical components, evaluate the antidiabetic activity, 
anti-inflammatory activity, and antioxidant activity of A. marmelos leaf 
extract, and validate its mechanistic effects in an in vitro cell model.
METHODS: The qualitative and quantitative analysis of the different 
phytoconstituents in the extract was determined using standardized protocols. 
The antioxidant activity of the extract was evaluated by 
2,2-di-phenyl-1-picrylhydrazyl (DPPH) radical scavenging capacity assay and 
ferric reducing antioxidant power (FRAP) assay. The antidiabetic activity of the 
extract was evaluated by α-amylase inhibition and α-glucosidase inhibition 
assay. The anti-inflammatory activity was studied using an albumin denaturation 
assay. In addition, the pharmacological effect(s) of leaf extract was checked in 
the normal rat kidney fibroblast cells (NRK-49F) under high glucose conditions. 
Intracellular reactive oxygen species (ROS) generation was measured by 
fluorometry using fluorescence probe 2',7'-dichlorodihydrofluorescin diacetate 
(DCF-DA). mRNA expression of inflammatory markers including inducible nitric 
oxide synthase (iNOS) and tumor necrosis factor-alpha (TNF-α) was studied using 
real-time quantitative polymerase chain reaction (RT-qPCR). Cell migration was 
studied using cell scratch assay. Statistical analysis was performed using 
GraphPad Prism version 8.0.
RESULTS: The phytochemical analysis of A. marmelos leaf extract revealed the 
presence of alkaloids, phenols, flavonoids, and saponins. The extract showed 
higher antioxidant activity in the DPPH (IC50=258.21 µg/mL) and FRAP assay 
(IC50=293.83 µg/mL). The extract exhibited prominent antidiabetic activity by 
inhibiting enzymes α-Amylase (IC50=73.2 µg/mL) and α-glucosidase (IC50=43.9 
µg/mL). In addition, the extract showed effective anti-inflammatory activity by 
significantly inhibiting the denaturation of egg albumin (IC50=102.8 µg/mL). 
Further, the leaf extract significantly decreased the high glucose-induced ROS 
generation as well as inflammatory markers in rat fibroblast cell lines in a 
dose-dependent manner. Additionally, high glucose-induced cell migration as the 
measure of cell injury was effectively reduced by the extract treatment.
CONCLUSION:  A. marmelos leaf extract was quantified to possess a substantial 
amount of important phytoconstituents that have promising pharmacological 
properties. Besides showing antidiabetic activity, the extract significantly 
combats the high glucose-induced ROS generation, inflammatory markers 
expressions, and cell migration. Further, in-depth studies and clinical trials 
are warranted so as to position these traditional remedies for the treatment of 
metabolic disorders.

Copyright © 2024, Venkatesan et al.

DOI: 10.7759/cureus.70491
PMCID: PMC11523027
PMID: 39479139

Conflict of interest statement: Human subjects: Consent was obtained or waived 
by all participants in this study. Animal subjects: All authors have confirmed 
that this study did not involve animal subjects or tissue. Conflicts of 
interest: In compliance with the ICMJE uniform disclosure form, all authors 
declare the following: Payment/services info: All authors have declared that no 
financial support was received from any organization for the submitted work. 
Financial relationships: All authors have declared that they have no financial 
relationships at present or within the previous three years with any 
organizations that might have an interest in the submitted work. Other 
relationships: All authors have declared that there are no other relationships 
or activities that could appear to have influenced the submitted work.


4. Trop Anim Health Prod. 2024 Oct 30;56(8):369. doi: 10.1007/s11250-024-04209-2.

Effect of ethanol extract from Enterolobium cyclocarpum fruit on Leghorn 
chickens exposed to Eimeria.

Urtecho-Novelo R(1), Santos-Ricalde R(1), Sarmiento-Franco L(2), Torres-Acosta 
JF(1), Borges-Árgaez R(3).

Author information:
(1)Facultad de Medicina Veterinaria y Zootecnia, Universidad Autónoma de 
Yucatán, Km 15.5 carretera Mérida-Xmatkuil, Mérida, Yucatán, Mexico.
(2)Facultad de Medicina Veterinaria y Zootecnia, Universidad Autónoma de 
Yucatán, Km 15.5 carretera Mérida-Xmatkuil, Mérida, Yucatán, Mexico. 
luis.sarmiento@correo.uady.mx.
(3)Centro de Investigación Científica de Yucatán A. C. (CICY), Calle 43 n. 130 x 
32 y 34 Chuburná de Hidalgo, Mérida, Yucatán, CP. 97205, Mexico.

There are concerns about residues of drugs in meat that are used to prevent 
coccidiosis in chickens. Natural compounds are an alternative to drugs. Two 
studies investigated the effect of an extract of Enterolobium cyclocarpum fruits 
(EEC) in the feed of male Leghorn chickens exposed to Eimeria spp. In the first 
experiment, the administration of EEC after infection with Eimeria spp. was 
investigated over 16 days. One thousand chickens were randomly housed in 20 pens 
of 1 m2 each. The pens were randomly assigned to each treatment. Five treatments 
were administered, containing 150, 300 and 450 mg/kg of EEC in the feed, the 
fourth treatment (C) contained 0.5 g/kg of a commercial anticoccidial, and the 
fifth treatment provided no treatment (WA). The second experiment lasted 18 
days. Administration of the EEC began five days before the chickens were 
infected with Eimeria spp. Four hundred and eighty chickens were randomly 
allocated to 24 pens of 1 m2. The pens were randomly assigned to each treatment. 
In the second experiment, the same five treatments were tested and one 
additional treatment containing 300 mg EEC plus 1 g of polyethylene glycol 
(PEG)/kg of feed (E300PEG). In the experiment one chickens in the EEC treatments 
had lower faecal oocyst excretion (OE) on day 14 post infection with Eimeria 
spp., than chickens in the WA treatment (P < 0.05). A reduction in live weight 
gain (LWG) was observed in the EEC treatments (P < 0.05). In the second 
experiment, the excretion of oocysts in chickens from the EEC and E300PEG 
treatments on day 13 post-infection with Eimeria spp. was the same as in the C 
treatment and lower than in the WA treatment (P < 0.05). LWG was lower in the 
EEC treatments than in the C treatment (P < 0.05). However, the Chickens in the 
E300PEG and C treatments had similar LWG (P > 0.05) suggesting that PEG inhibits 
the negative effect of EEC tannins on LWG. In conclusion, the addition of EEC to 
chicken feed reduced both OE and LWG. Treatment with EEC and PEG (E300PEG) 
reduced the excretion of oocysts without negative effects on LWG.

© 2024. The Author(s), under exclusive licence to Springer Nature B.V.

DOI: 10.1007/s11250-024-04209-2
PMID: 39476271 [Indexed for MEDLINE]


5. 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.