Psychoactive Plant Database - Neuroactive Phytochemical Collection

1. Viruses. 2022 Dec 14;14(12):2783. doi: 10.3390/v14122783.

Exploration of Potent Antiviral Phytomedicines from Lauraceae Family Plants 
against SARS-CoV-2 Main Protease.

Bora H(1), Kamle M(1), Hassan H(2)(3), Al-Emam A(2)(4), Chopra S(5), Kirtipal 
N(6), Bharadwaj S(7)(8), Kumar P(1)(9).

Author information:
(1)Applied Microbiology Laboratory, North Easter Regional Institute of Science 
and Technology, Nirjuli 791109, Arunachal Pradesh, India.
(2)Department of Pathology, College of Medicine, King Khalid University, Abha 
62529, Saudi Arabia.
(3)Department of Pathology, Faculty of Medicine, Assiut University, Assiut 
71515, Egypt.
(4)Department of Forensic Medicine and Clinical Toxicology, Faculty of Medicine, 
Mansoura University, Mansoura 35516, Egypt.
(5)Division of Molecular Microbiology and Immunology, CSIR-Central Drug Research 
Institute, Sector 10, Janakipuram Extension, Sitapur Road, Lucknow 226031, Uttar 
Pradesh, India.
(6)School of Life Sciences, Gwangju Institute of Science and Technology (GIST), 
Gwangju 61005, Republic of Korea.
(7)Department of Biotechnology, Institute of Biotechnology, College of Life and 
Applied Sciences, Yeungnam University, 280 Daehak-Ro, Gyeongsan 38541, Republic 
of Korea.
(8)Laboratory of Ligand Engineering, Institute of Biotechnology of the Czech 
Academy of Sciences v.v.i., BIOCEV Research Center, 25250 Vestec, Czech 
Republic.
(9)Department of Botany, University of Lucknow, Lucknow 226007, Uttar Pradesh, 
India.

A new Coronaviridae strain, Severe Acute Respiratory Syndrome Coronavirus-2 
(SARS-CoV-2), emerged from Wuhan city of China and caused one of the substantial 
global health calamities in December 2019. Even though several vaccines and 
drugs have been developed worldwide since COVID-19, a cost-effective drug with 
the least side effects is still unavailable. Currently, plant-derived compounds 
are mostly preferred to develop antiviral therapeutics due to its less toxicity, 
easy access, and cost-effective characteristics. Therefore, in this study, 124 
phytochemical compounds from plants of Lauraceae family with medicinal 
properties were virtually screened against SARS-CoV-2 Mpro. Identification of 
four phytomolecules, i.e., cassameridine, laetanine, litseferine and 
cassythicine, with docking scores -9.3, -8.8, -8.6, and -8.6 kcal/mol, 
respectively, were undertaken by virtual screening, and molecular docking. 
Furthermore, the molecular dynamic simulation and essential dynamics analysis 
have contributed in understanding the stability and inhibitory effect of these 
selected compounds. These phytomolecules can be considered for further in vitro 
and in vivo experimental study to develop anti-SARS-CoV-2 therapeutics targeting 
the main protease (Mpro).

DOI: 10.3390/v14122783
PMCID: PMC9785681
PMID: 36560787 [Indexed for MEDLINE]

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


2. Chem Biodivers. 2021 Apr;18(4):e2001022. doi: 10.1002/cbdv.202001022. Epub
2021  Mar 1.

Aporphine Alkaloids from Ocotea puberula with Anti-Trypanosoma Cruzi Potential - 
Activity of Dicentrine-β-N-Oxide in the Plasma Membrane Electric Potentials.

Barbosa H(1), Costa-Silva TA(1), Alves Conserva GA(1), Araujo AJ(2), Lordello 
ALL(2), Antar GM(3), Amaral M(4), Soares MG(5), Tempone AG(4), Lago JHG(1).

Author information:
(1)Center for Natural and Human Sciences, Federal University of ABC, 09210-580, 
Santo Andre, SP, Brazil.
(2)Department of Chemistry, Federal University of Paraná, 81531-980, Curitiba, 
PR, Brazil.
(3)Institute of Biosciences, University of São Paulo, 05508-090, São Paulo, SP, 
Brazil.
(4)Center for Parasitology and Mycology, Instituto Adolfo Lutz, 01246-902, São 
Paulo, SP, Brazil.
(5)Institute of Chemistry, Federal University of Alfenas, 37130-001, Alfenas, 
MG, Brazil.

One new aporphine, dicentrine-β-N-oxide (1), together with five related known 
alkaloids dehydrodicentrine (2), predicentrine (3), N-methyllaurotetanine (4), 
cassythicine (5), and dicentrine (6) were isolated from the leaves of Ocotea 
puberula (Lauraceae). Antiprotozoal activity of the isolated compounds was 
evaluated in vitro against trypomastigote forms of Trypanosoma cruzi. Among the 
tested compounds, alkaloid 1 exhibited higher potential with EC50 value of 
18.2 μM and reduced toxicity against NCTC cells (CC50 >200 μM - SI>11.0), 
similar to positive control benznidazole (EC50 of 17.7 μM and SI=10.7). 
Considering the promising results of dicentrine-β-N-oxide (1) against 
trypomastigotes, the mechanism of parasite death caused by this alkaloid was 
investigated. As observed, this compound reached the plasma membrane electric 
potential directly after 2 h of incubation and triggered mitochondrial 
depolarization, which probably leads to trypomastigote death. Therefore, 
dicentrine-β-N-oxide (1), reported for the first time in this work, can 
contribute to future works for the development of new trypanocidal agents.

© 2021 Wiley-VHCA AG, Zurich, Switzerland.

DOI: 10.1002/cbdv.202001022
PMID: 33635585 [Indexed for MEDLINE]


3. Mol Inform. 2020 Nov;39(11):e1900125. doi: 10.1002/minf.201900125. Epub 2020
Feb  21.

Aporphinoid Alkaloids Derivatives as Selective Cholinesterases Inhibitors: 
Biological Evaluation and Docking Study.

Cavallaro V(1), Murray AP(1), Pungitore CR(2), Gutiérrez LJ(3).

Author information:
(1)INQUISUR-CONICET, Departamento de Química, Universidad Nacional del Sur, Av. 
Alem 1253, 8000, Bahía Blanca, Argentina.
(2)INTEQUI-CONICET, Departamento de Química, Universidad Nacional de San Luis, 
Almirante Brown 907, 5700, San Luis, Argentina.
(3)IMIBIO-SL CONICET, Facultad de Química, Bioquímica y Farmacia, Universidad 
Nacional de San Luis, República de Argentina, San Luis, Argentina, Ejército de 
los Andes 950, 5700, San Luis, Argentina.

Alzheimer's dementia is a neurodegenerative disease that affects the elderly 
population and causes memory impairment and cognitive deficit. Manifestation of 
this disease is associated to acetylcholine decrease; thus, Cholinesterase 
inhibition is the main therapeutic strategy for the treatment of Alzheimer's 
disease. In the present study, a series of aporphinoid alkaloids were tested as 
potential acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) 
inhibitors in vitro. Alkaloids liriodenine (3) and cassythicine (10) were the 
best inhibitors of both cholinesterases with IC50 values lower than 10 μM. In 
addition, these alkaloids demonstrated better inhibition of BChE than reference 
drug galantamine. In addition, some alkaloids showed selective inhibition. 
Laurotetatine clorhydrate (13) selectively inhibit AChE over BChE. On the 
contrary, pachyconfine (7) interacted more efficiently with BChE active site. 
Molecular modelling studies were performed in order to illustrate key 
interactions between most active compounds and the enzymes and to explain their 
selectivity. These studies reveal that the benzodioxole moiety exhibits strong 
interactions due to hydrogen bonds that form with the Glu201 (AChE) and Tyr440 
(BChE) residues, which is reflected in the IC50 values.

© 2020 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

DOI: 10.1002/minf.201900125
PMID: 32048433 [Indexed for MEDLINE]


4. Molecules. 2012 Apr 5;17(4):4197-208. doi: 10.3390/molecules17044197.

(-)-Kunstleramide, a new antioxidant and cytotoxic dienamide from the bark of 
Beilschmiedia kunstleri gamble.

Mollataghi A(1), Hadi AH, Cheah SC.

Author information:
(1)Department of Chemistry, Faculty of Science, University of Malaya, Kuala 
Lumpur 50603, Malaysia.

A new dienamide, (2E,4E)-7-(3',4'-dimethoxyphenyl)-N-ethyl-6-(R)-hydroxyhepta- 
2,4-dienamide, named (-)-kunstleramide (1), were isolated from the bark of 
Beilschmiedia kunstleri Gamble together with one neolignan: (+)-kunstlerone (2) 
and seven known alkaloids: (+)-nornuciferine (3), (-)-isocaryachine (4), 
(+)-cassythicine (5), (+)-laurotetanine (6), (+)-boldine (7), 
noratherosperminine (8), (+)-N-demethylphyllocaryptine (9). Their structures 
were established from spectroscopic techniques, most notably 1D- and 2D-NMR, UV, 
IR, OR, circular dichroism (CD) spectra and LCMS-IT-TOF. (-)-Kunstleramide (1) 
exhibited very poor dose-dependent inhibition of DPPH activity, with an IC₅₀ 
value of 179.5 ± 4.4 μg/mL, but showed a moderate cytotoxic effect on MTT assays 
of A375, A549, HT-29, PC-3 and WRL-68 with EC₅₀ values of 64.65, 44.74, 55.94, 
73.87 and 70.95 µg/mL, respectively.

DOI: 10.3390/molecules17044197
PMCID: PMC6268565
PMID: 22481540 [Indexed for MEDLINE]


5. Molecules. 2011 Aug 4;16(8):6582-90. doi: 10.3390/molecules16086582.

(+)-Kunstlerone, a new antioxidant neolignan from the Leaves of Beilschmiedia 
kunstleri gamble.

Mollataghi A(1), Hadi AH, Awang K, Mohamad J, Litaudon M, Mukhtar MR.

Author information:
(1)Department of Chemistry, Faculty of Science, University of Malaya, 50603 
Kuala Lumpur, Malaysia. abbas@siswa.um.edu.my

A new neolignan, 
3,4-dimethoxy-3',4'-methylenedioxy-2,9-epoxy-6,7-cyclo-1,8-neolign-11-en-5(5H)-one, 
which has been named (+)-kunstlerone (1), together with six known alkaloids: 
(+)-norboldine (2), (+)-N-methylisococlaurine (3), (+)-cassythicine (4), 
(+)-laurotetanine (5), (+)-boldine (6) and (-)-pallidine (7), were isolated from 
the leaves of Beilschmiedia kunstleri. The structures were established through 
various spectroscopic methods notably 1D- and 2D-NMR, UV, IR and LCMS-IT-TOF. 
(+)- Kunstlerone (1) showed a strong antioxidant activity, with an SC(50) of 
20.0 µg/mL.

DOI: 10.3390/molecules16086582
PMCID: PMC6264304
PMID: 21818061 [Indexed for MEDLINE]