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Pharmacognosy and
Medicinal Plants
Page 61
American Journal of Ethnomedicine
April 16- 17, 2018 Amster d am , N et h er l an d s
Pharmacognosy and
Medicinal Plants
T
he anticancer activity of volatile isolates from Allium commutatum Guss., Allium sativum L. (Amaryllidaceae family), and Lepidium graminifolium L. ssp. graminifolium ( Brassicaceae family), analyzed by GC-MS, as well as the pure sulfur volatiles, were evaluated against two human tumor cell lines: glioblastoma cell line LN-229 and bladder cancer cell line UM-UC-3, using MTT assay. The major sulfur volatiles found in A. commutatum hydrodistillate from flower and A. sativum bulb originated from S-alk(en)yl cysteine sulfoxide degradation. The most abundant sulfur volatile in A. commutatum isolate was dipropyl trisulfide, and in A. sativum diallyl disulfide. A. commutatum distillate showed very weak cytotoxic effect on both cancer cell lines except at incubation time of 72 h on LN229 cell line (IC 50 6.364 μg/mL), while dipropyl trisulfide showed much stronger cytotoxic effect: with IC 50 12.34 and 10.35 μg/mL, and IC 50 22.19 and 8.434 μg/mL for UM-UC-3 and LN229 cell line, respectively during incubation time of 48 and 72 h. Both A. sativum extract and distillate showed strong time and concentration-dependent cytotoxic activity on both cancer cell lines, with the best results at incubation time of 48 and 72 h. A. sativum extract had IC 50 14.49 and 12.48 μg/mL,
and 40.84 and 10.41 μg/mL for UM-UC-3, and for LN229 cell lines, respectively, during incubation time of 48 and 72 h. A. sativum distillate showed very similar results: IC 50 20.86 and 14.13 μg/mL, and 17.41 and 12.01 μg/mL for UM-UC-3, and for LN229 cell line, respectively. As expected, an active compound from A. sativum diallyl disulfide showed very strong anticancerogenic potential with IC 50 22.3 and 19.07 μg/mL, and 44.69 and 8.85 μg/mL for UM- UC-3, and LN229 cell line, respectively. L. graminifolium extract and distillate sulfur volatiles originated from glucosinolates degradation i.e. 3-methoxybenzyl isothiocyanate, and benzyl isothiocyanate. They didn’t show strong cytotoxic activity on UM-UC-2 cell lines. While there was effect on LN229 cell line of distillate at incubation time of 48 hours (IC 50 53.92 μg/mL) and of extract at incubation time of 48 and 72 hours (IC 50 30.71 and 54.37 μg/mL, respectively). On the contrary, benzyl isothiocyanate showed much stronger cytotoxic effect: with IC 50 13.16 and 12. μg/mL, and IC 50 6.48 and 12.29 μg/mL for UM-UC-3, and LN cell line, respectively during incubation time of 48 and 72 h.
vedrana.cikes.culic@mefst.hr
Anticancer activity of Allium commutatum, Allium sativum, and
Lepidium graminifolium on human cancer cell lines
University of Split, Croatia
Vedrana Čikeš Čulić et al., Am J Ethnomed 2018, Volume 5 DOI: 10.21767/2348-9502-C1-
American Journal of Ethnomedicine
April 16- 17, 2018 Amster d am , N et h er l an d s
Pharmacognosy and
Medicinal Plants
T
he marine habitat is a rich source of bioactive natural compounds with pharmaceutical potential. Some of them are novel compound with novel mechanisms of action (1). Marine derived Fungi which isolated from marine species such as sponges, anemone, tunicate and etc. have become a focus of interest. In recent years marine fungi have arised as the new sources of antioxidants in the form of their wide variety of secondary metabolites such as alkaloids, benzoquinones, flavanoids, phenols, steroids, terpenoids, tetralones, and xanthones(2,3). Numerous studies about diverse and unique compounds of marine fungi and their biological activities including antimicrobial, antioxidant,anticancer, anti-inflammatory and antiviral properties have been reported (4). In this study seven marine-derived fungi were isolated and identified from marine invertebrates and investigated with regard to their antioxidant activity.Antioxidant activity of extracts was determined by DPPH, ABTS, NO and SO assay. According to the obtained results A.chevalieri and A. terreus showed high antioxidant activity in every four assays. On the other hand, A.awamori, M.globose, M. tassiana_1 and T. harzianum showed lowest activity. This is the first study about habitant of marine-derived seven fungi of Turkey’s coasts and their antioxidant, activity. Besides, it is also the first report about antioxidant activity of C. Funiculosum and A. awamori
Acknowledgement
This work was supported by the Scientific and Technological Research Council of Turkey (TÜBİTAK), Project No: BMBF,114S916. References
Antioxidant activity of some Turkish marine derived fungi
Ankara University, Turkey
Hajar Heydari et al., Am J Ethnomed 2018, Volume 5 DOI: 10.21767/2348-9502-C1-
American Journal of Ethnomedicine
April 16- 17, 2018 Amster d am , N et h er l an d s
Pharmacognosy and
Medicinal Plants
Preliminary phytochemical investigation on Mama powder — an
approved herbal antimalarial in Nigeria
(^1) Mbarara University of Science and Technology, Uganda (^2) Obafemi Awolowo University, Nigeria
Statement of the Problem: Malaria is an endemic disease in Africa where one out of four mortalities is reported regularly. Despite the discovery of artemisinin-combination therapy (ACT), high mortality rate persists due to chloroquine-resistant Plasmodium falciparum; hence, there is a need for new antimalarial drugs. A mixture of powdered Alstonia boonei De Wild (Apocynaceae) stem-bark (A) and powdered Picralima nitida (Stapf) T. Durand & H. Durand (Apocynaceae) seed (P), in the ratio 1:2 (Mama powder), is an FDA-approved herbal antimalarial in Nigeria. Hitherto, no phytochemical investigation on the mixture has been reported; hence, a preliminary phytochemical investigation is hereby communicated for the first time.
Methodology: The two plant materials were collected from their locations in Ile Ife, Nigeria, authenticated in IFE Herbarium, Obafemi Awolowo University, Nigeria, oven-dried at 45˚C and separately pulverized. The two powdered samples were used to compose Mama powder as above, decocted in distilled water, concentrated in vacuo at 60˚C and lyophilized. The lyophilized crude extractive was re-constituted with distilled water and partitioned with n-hexane, dichloromethane, ethyl acetate and n-butanol. The resulting fractions were tested for antimalarial activities orally on chloroquine-sensitive Plasmodium berghei- infected mice at 13, 26 and 52 mg/kg with chloroquine (5 mg/kg) as positive control.
Findings: At 52 mg/kg, the n-hexane, dichloromethane, ethyl acetate and n-butanol fractions gave chemosuppressive activities of 78.8, 47.2, 85.4 and 64.9%, respectively while chloroquine ( mg/kg) gave 88.5%.
Conclusion & Significance: The highest activity was obtained in the ethyl acetate fraction which is being further purified in our laboratories in order to isolate and characterize the active constituent(s) of Mama powder.
Figure 1: Flow chart showing the preparation and antimalarial evaluation of solvent-partitioned fractions obtained from Mama powder decoction.
Recent Publications
Clement Olusoji Ajayi et al., Am J Ethnomed 2018, Volume 5 DOI: 10.21767/2348-9502-C1-
American Journal of Ethnomedicine
April 16- 17, 2018 Amster d am , N et h er l an d s
Pharmacognosy and
Medicinal Plants
Effects of high doses of lemon balm (Melissa officinalis L.) essential
oil on mice behavior and serum biochemical parameters
University of Niš, Serbia
Statement of the Problem: The essential oil of Melissa officinalis leaves is held in high esteem for its use in aromatherapy; however, due to the low yield of the essential oil, its production cost is very high. A myriad of beneficial biological activities of this essential oil was reported and its composition has been extensively studied. Strangely, up to date, no studies exist on the acute toxicity of this essential oil. Prompted by this, in this work, the toxicity of orally administered M. officinalis essential oil was assessed.
Methodology & Theoretical Orientation: The hydrodistilled essential oil used in the current study was obtained from fresh plant material (leaves, yield 0.087%, w/w) and the detailed analyses (GC and GC/MS) showed that the tested essential oil contained high amounts of geranial (22.1%), neral (17.6%), citronellal (4.2%), nerol (1.3%) and geraniol (1.2%), as expected for M. officinalis (3). The acute toxicity was evaluated in female BALB/c mice that were orally treated with the essential oil (in the dose range 0.5-3 g/kg). During a 24-h period, the animals’ behavior was monitored, and after that, the survived animals were sacrificed and, in their sera, liver damage-related parameters were evaluated.
Findings: Doses over 1 g/kg decreased animal movement, produced abdominal writhings, tumbling, atony, spastic movements and in some cases muscle rigidity. All these symptoms were dose dependent and could probably be brought in connection with the amount of citronellal in the applied doses. Serum levels of ALT and AST, as well as their ratio (AST/ALT), increased with the applied essential oil in doses>1 g/kg, indicating liver toxicity.
Conclusion & Significance: In conclusion, by causing a wide panel of both behavioral alterations and changes in serum biochemical parameters in mice, M. officinalis essential oil can be deemed as being moderately toxic.
Recent Publications
Nikola Stojanovic et al., Am J Ethnomed 2018, Volume 5 DOI: 10.21767/2348-9502-C1-
American Journal of Ethnomedicine
April 16- 17, 2018 Amster d am , N et h er l an d s
Pharmacognosy and
Medicinal Plants
Nikola Stojanovic obtained his MD Degree from the Department of Medicine (Faculty of Medicine, University of Niš, Serbia) and was awarded as the Best Graduated Student for the graduation year 2014/2015. He began his research work during the second year of his studies and he is now doing a large number of specialized in vivo and in vitro experiments in the fields of Pharmacology, Toxicology, Biology, Immunology and Microbiology. His main focus currently involves the effects of essential oils on the levels of anxiety in both humans and animals. Up to now, he had participated and won several prizes, on national and international congresses in different fields of research. Besides that, he is an Author and Coauthor of a number of publications in highly esteemed peer-reviewed journals.
nikola.st90@yahoo.com
Nikola Stojanovic et al., Am J Ethnomed 2018, Volume 5 DOI: 10.21767/2348-9502-C1-
American Journal of Ethnomedicine
April 16- 17, 2018 Amster d am , N et h er l an d s
Pharmacognosy and
Medicinal Plants
Antiproliferative activity of three sesquiterpenes on human
bladder cancer cell lines
University of Split, Croatia
S
esquiterpenes are C15-terpenoids built from three isoprene units. These compounds are commonly found in higher plants, marine organisms and fungi. Naturally, they occur as hydrocarbons or in oxygenated forms including lactones, alcohols, acids, aldehydes, and ketones. Over the last decade, sesquiterpenes have attracted significant attention because of the roles they play in biological systems and their diverse biological activities, such as anti- inflammatory, antibacterial, antioxidant and anti-carcinogenic. The antiproliferative activity of three sesquiterpenes (thuyopsene, nerolidol and farnesol) was evaluated on three lines of human bladder cancer (T24, UM-UC-3, TCCSUP,) using MTT assay. Thuyopsene is one of the major sesquiterpene constituents of cedarwood, while farnesol and nerolidol can be found in the essential oils of many types
of plants and flowers. The tested compounds showed different antiproliferative activity on the cancer cell lines. Farnesol showed the highest impact on T24 cells growth (52% growth inhibition) at concentration of ϱϲ μM, while thuyopsene showed the strongest growth inhiďition of ϱϬ% and 27% on UM-UC-3 and TCCSUP cell line at concentration of ϭϳϭ and ϭϮϮ μM, respectively. Generally, nerolidol showed the lowest antiproliferative potential on the cancer cells. In order to determine type of cell death induced by treatment, Annexin-V-FITC assay was used for the detection of apoptosis by flow cytometry. The results obtained for these three sesquiterpenes open a perspective for their use as antiproliferative agents.
mradan@ktf-split.hr
Mila Radan et al., Am J Ethnomed 2018, Volume 5 DOI: 10.21767/2348-9502-C1-
American Journal of Ethnomedicine
April 16- 17, 2018 Amster d am , N et h er l an d s
Pharmacognosy and
Medicinal Plants
Botanical origin and antioxidant activity of uni-and multifloral
Hungarian honeys
University of Pécs, Hungary
H
oney is a supersaturated solution of sugars, which contains phenolic compounds, enzymes, free amino acids, minerals, vitamins and proteins acting as minor components. It is well established that honey has antioxidant effect, for which the phenolic acids and flavonoids are responsible. The aim of this study was to evaluate the antioxidant capacity of some floral and honeydew honeys available on the Hungarian market, with four different antioxidant techniques; and to classify the honeys according to melissopalynological analysis. We applied spectrophotometric methods: Folin-Ciocalteu (FC) assay and 1,1-diphenyl-2-picrylhydrazyl (DPPH) assay for antiradical activity, trolox equivalent antioxidant capacity (TEAC) assay for total antioxidant activity, ABS450 for color intensity and one fluorimetric method: oxygen reactive antioxidant capacity (ORAC) for the antilipoperoxidant activity. To classify the botanical origin of honeys, we carried out qualitative and quantitative melissopalynological analyses. The antioxidant capacity measured by the Folin reagent reactivity correlated with the color parameters, as well as with the antioxidant activities measured with the other methods. Black locust honey samples with pale color had the lowest (116 mAU), while dark honeydew honeys called “meadow clary (Salvia pratensis) honey” exhibited the highest (1617 mAU) radical scavenging activity. Values ranged from 197.93±4.64 to 937.64±28.43 mg GAE/kg, 89.14±26.9 to 240.15±47.3 μM TE/100g, 61.76±2. to 5.47±0.02, and 14.78±1.15 to 114.89±10.43 μM TE/g for the FC, TEAC, DPPH (IC50), and ORAC assays, respectively. However, the melissopalynological analysis revealed that the “meadow clary honey” was in fact of multifloral origin. Among unifloral honeys the chestnut (Castanea sativa) honeys (1037 mAU) had the highest antioxidant activity (PC: 636.48±31.9 mg GAE/kg, TEAC: 171.23±2.0 μM TE/100g, DPPH (IC50): 17.37±0.57, ORAC: 75.2±4.71 μM TE/g). The results of this study demonstrated that the botanical origin and the color intensity of honeys have the greatest influence on their antioxidant activity.
Figure 1: Antioxidant activity of some Hungarian honey samples, measured by Folin-Ciocalteu assay.
Recent Publications
Alexandra Bodó et al., Am J Ethnomed 2018, Volume 5 DOI: 10.21767/2348-9502-C1-
American Journal of Ethnomedicine
April 16- 17, 2018 Amster d am , N et h er l an d s
Pharmacognosy and
Medicinal Plants
Development of a herbal formulation containing extracts of
Camellia sinensis and Limonium algarvense and assessment of
its in vitro bioactivities
(^1) Centre of Marine Sciences, Portugal (^2) University of Lisbon, Portugal
T
he growing interest of stakeholders and consumers in herbal products urges the need for research aiming to unravel innovative products with health improvement potential. Green tea ( Camellia sinensis (L.) Kuntze, CS) is commonly sold in mixtures combining different herbs, fruits or spices in order to improve or add beneficial properties to such beverages. Having this in mind, and following previous promising results obtained with the halophyte sea lavender ( Limonium algarvense Erben. LA) this work prepared and evaluated herbal beverages containing mixtures of CS and LA flowers in terms of antioxidant capacity and inhibition of enzymes related with Alzheimer’s (acetyl- and butyrylcholinesterase) and Type 2 diabetes mellitus (α-amylase and α-glucosidase). The phenolic profile was determined by HPLC. Both synergistic and antagonistic interactions were observed. LA and CS samples had strong antioxidant activity, whereas LA and CS mixtures exhibited higher OH radical- scavenging and anti-lipid peroxidation capacity. LA samples had higher cholinesterase inhibition than CS and mixtures resulted in stronger enzymatic inhibition. CS had the highest α-glucosidase inhibition, which decreased when combined with LA. CS had higher phenolic contents, and its combination with LA increased the phenolic diversity of the mixtures. Results showed that LA and CS infusions and decoctions and their combinations have relevant in vitro antioxidant, neuroprotective and antidiabetic properties. Infusions and decoctions of LA and CS mixtures should thus be further explored as potential innovative functional beverages able to prevent oxidative stress and lipid oxidation related diseases, and to reduce the progression of neurodegenerative diseases and diabetic complications.
Figure 1: Limonium algarvense flowers.
Recent Publications
Maria J Rodrigues et al., Am J Ethnomed 2018, Volume 5 DOI: 10.21767/2348-9502-C1-
American Journal of Ethnomedicine
April 16- 17, 2018 Amster d am , N et h er l an d s
Pharmacognosy and
Medicinal Plants
Maria J Rodrigues has a Degree in Biology (Major in Biomedicine) and a Master’s in Biomedical Sciences. She has interest in exploring new biotech- nological applications and products from marine organisms (halophytes, microalgae, macroalgae and marine invertebrates) found in the Algarve coast. She has been working as a Research Fellow in the Marine Biotech- nology group under the scope of different projects: SEABIOMED (marine photosynthetic organisms of the Algarve coast with biomedical applica- tions, XtremeBio (halophytes: a precious resource nutritional elements and bioactive compounds, MaNaCruzi (searching for marine origin molecules against Trypanosoma cruzi , and recently Xtreme Gourmet (extremophile plants in the gourmet cuisine). Since 2014, she has been working on her PhD project: “Unravelling the biotechnological potential of halophytes species of the Algarve coast”. During this time, she participated in the preparation of 27 scientific articles published in international peer-reviewed journals and 17 communications in national and/or international conferences (oral and poster).
mjrodrigues@ualg.pt
American Journal of Ethnomedicine
April 16- 17, 2018 Amster d am , N et h er l an d s
Pharmacognosy and
Medicinal Plants
Investigations on some medical plants from Northern Cyprus
Ali Hikmet Meriçli et al., Am J Ethnomed 2018, Volume 5 DOI: 10.21767/2348-9502-C1-
Near East University, Turkish Republic of Northern Cyprus
C
yprus is the third largest island of the Mediterranean Sea and the point of the encounter of several different eco-systems. Flora of Cyprus is represented with 1800 plants and 22 of them are endemic plants in Northern Cyprus. Besides a rich plant diversity, Cyprus is also very rich in cultural variation depend on historical situations. The plant and cultural diversities in Cyprus provide very rich traditional treatments and folk medicines. The active principles of some medicinal plants growing wildly in Northern Cyprus and their uses as sources of herbal medicinal products have been investigated by our research group. Ceratonia siliqua, Matricaria recutita, Prunus dulcis , and Thymus capitatus are the widespread medicinal plants used traditionally in Northern Cyprus. On the other hand, Mediterranean fever disease is a serious health problem in the island and colchicine containing medicinal plants are valued for treatment. Colchicum pusillum is widespread in Northern Cyprus, the active principles of the bulbs and aerial parts of C. pusillum are investigated. The anticancer activity of the bulb extract is also determined. Our researches on some medicinal plants from Northern Cyprus and their possibility of herbal medicines production will be summarized.
Figure 1: Colchicum pusillum Sieber (photos: by AH Meriçli) Matricaria recutita L.
Ali Hikmet Meriçli graduated from Istanbul University, Faculty of Pharmacy. He entered as an Assistant at the Faculty of Pharmacognosy at Istanbul University. He has contributed to the education and development of New Century University Faculty of Pharmacy between February 2012 and August 2013 and served as the Senator of New Century University Faculty of Phar- macy. By 2015, he has published 141 original scientific articles, 3 books, 3 books in chapter books, 40 compilations and current writings. He is working on isolation and structure elucidation of natural compounds and biological activities of medicinal plants and also herbal medicines.
ali.mericli@neu.edu.tr
American Journal of Ethnomedicine ISSN: 2348-9502 Page 77
April 16- 17, 2018 Amster d am , N et h er l an d s
Pharmacognosy and
Medicinal Plants
Examination of the antioxidant potentials of phenolic extracts
of Iranian honey by different methods
Shiraz University of Medical Sciences, Iran
Statement of the Problem: Honey is a natural substance produced by bees and from ancient times, this compound has been consumed by people. In oldest civilizations, honey was consumed for both nutritional and medical purposes. Honey, prevents lipid oxidation in meat and retardations oxidation reactions in food, caused by light, heat and metals.
Objective: In the present study, four phenolic extracts of Iranian honey were examined for antioxidant potentials by DPPH and NO radicals scavenging, reducing power and determination of phenolic and flavonoid contents.
Methodology & Theoretical Orientation: For preparation of phenolic extracts of honey, Amberlite XAD-2 resin was used. For DPPH radical scavenging, honey samples at different concentration levels were mixed with DPPH. For evaluation of NO radical scavenging, nitroprusside was used. For evaluation antioxidants potential by FRAP method, FeCl3, acetate buffer, and TPTZ solution was used. For determination phenolics, Folin-Ciocalteu was used as a reagent. Flavonoid content of the samples was determined using NaNO2.
Findings: With respect to antioxidant properties, Gavan sample presented the highest phenolic (3817±1.52 mg GAE/100 g) and flavonoid contents (3.1±0.005 mg QE/100 g) and DPPH radical scavenging (IC50= 2± 0.003 mg/ml). Bahareh honey possessed the maximum NO radical scavenging (IC50=0.0403 ± 0.0009 mg/ ml) and Meymand honey presented the highest reducing power by FRAP method (IC50= 0.0018± 0.000003 mg/ml).
Conclusion & Significance: Honey samples presented antioxidant potentials especially by NO radical scavenging.
Table 1: Antioxidant potentials of 4 honey phenolic extracts by different methods in comparison with antioxidant standards.
*Results are given as mean± SD values.
Table 2: Total phenolic and flavonoid contents of four honeys phenolic extracts.
aValues are expressed as mean± SD of three parallel measurements (p<0.05); bGAE: Gallic acid equivalent; cQE: Quercetin equivalent.
Mahmoodreza Moein, Am J Ethnomed 2018, Volume 5 DOI: 10.21767/2348-9502-C1-
Examination of the antioxidant potentials of phenolic extracts of Iranian honey by different methods Mahmoodreza Moein Shiraz University of Medical Sciences, Iran
Abstract
Statement of the Problem: Honey is a natural substance produced by bees and from ancient times, this compound has been consumed by people. In oldest civilizations, honey was consumed for both nutritional and medical purposes. Honey, prevents lipid oxidation in meat and retardations oxidation reactions in food, caused by light, heat and metals.
Objective: In the present study, four phenolic extracts of Iranian honey were examined for antioxidant potentials by DPPH and NO radicals scavenging, reducing power and determination of phenolic and flavonoid contents.
Methodology & Theoretical Orientation: For preparation of phenolic extracts of honey, Amberlite XAD-2 resin was used. For DPPH radical scavenging, honey samples at different concentration levels were mixed with DPPH. For evaluation of NO radical scavenging, nitroprusside was used. For evaluation antioxidants potential by FRAP method, FeCl 3 , acetate buffer, and TPTZ solution was used. For determination phenolics, Folin-Ciocalteu was used as a reagent. Flavonoid content of the samples was determined using NaNO2.
Findings: with respect to antioxidant properties, Gavan sample presented the highest phenolic (3817±1.52 mg GAE/100 g) and flavonoid contents (3.1±0.005 mg QE/100 g) and DPPH radical scavenging (IC 50 = 2± 0. mg/ml). Bahareh honey possessed the maximum NO radical scavenging (IC 50 =0.0403 ± 0.0009 mg/ml) and Meymand honey presented the highest reducing power by
FRAP method (IC 50 = 0.0018± 0. mg/ml).
Conclusion & Significance: Honey samples presented antioxidant potentials especially by NO radical scavenging.
Table 1: Antioxidant potentials of 4 honey phenolic extracts by different methods in comparison with antioxidant standards.
Samples
DPPH radical scavengi ng (IC 50 , mg/ mL)
Nitric oxide scavengi ng ability% ( mg/mL)
Antioxida nt potential by FRAP method (IC 50 , mg/ mL) Gavan, bee 2± 3.^
0.054 ±
0.652±
Zataria >3.200 0.045±0.0017 0.294±0.
Bahare >3.200 0.0403 ±0.0009 >3. Meyman d >3.^
0.05±
0.0018± ±
Querceti n
0.0265±
0.07±
0.009 ±
*Results are given as mean± SD values.
Table 2: Total phenolic and flavonoid contents of four honeys phenolic extracts.
Sample
Phenolic content (mg GAE/100g honey) b
Total flavonoids(mg QE/100g honey) c
American Journal of Ethnomedicine
April 16- 17, 2018 Amster d am , N et h er l an d s
Pharmacognosy and
Medicinal Plants
T
he medicinal plant Silybum marianum (milk thistle) has been used from antiquity for treatment of liver and gallbladder disorders of different etiologies. Its main active component, silybin, occurs in two diastereoisomeric forms, silybin A and B. Silybin has been shown to exert a broad spectrum of bioactivities including cardioprotective, neuroprotective, antidiabetic and anticancer activities; however, the mechanisms of these actions have not been elucidated yet. In the current study, we assessed the chemical similarity of the silybin diastereoisomers to all approved drugs in the DrugBank database using ROCS software. Tanimoto Combo index, taking into account features obtained by shape and chemistry alignment of the compounds, was used as similarity estimator. The drugs scored with Tanimoto Combo indices ≥0.9 (9 drugs for silybin A and 9 drugs for silybin B) were filtered and analyzed in terms of target pathology and mechanisms of action. Among them three drugs exert antidiabetic (canaglifozin, dapaglifozin, empaglifozin) and two other drugs possess antitumor activities (vemurafenib and vismodegib). Since silybins have been reported to possess antitumor activities, the similarity with these drugs is of а particular interest when studying their mechanism of action. Since the X-ray structures of the antitumor drug targets, Smoothened homolog (vismodegib) and BRAF kinase (vemurafenib) are available, further docking studies of silybins in these receptors were performed and the possibility of silybin interactions with them was estimated. The results suggest that silybins can be accommodated in the binding sites of BRAF kinase and Smoothened homolog performing specific interactions with particular residues, including also those vemurafenib and vismodegib interact with. Experimental studies are necessary to prove the hypothesis that silybins can act as inhibitors of these proteins.
Antonia Diukendjieva got her BS Degree in Biotechnology and MS Degree in Biochemistry from Sofia University “St. Kliment Ohridski”, Faculty of Biology. Currently she is a PhD student at the Institute of Biophysics and Biomedical Engineering, Bulgarian Academy of Sciences. Her main scientific interests are in the field of Predictive Toxicology and In Silico Drug Design. Her most recent investigations relate to pharmacokinetic and pharmacodynamic evaluation of naturally-derived flavonoids.
antonia.diukendjieva@biomed.bas.bg
In silico evaluation of new potential target proteins of
flavonolignans from Silybum marianum
(^1) Bulgarian Academy of Sciences, Bulgaria (^2) University of Siena, Italy
Antonia Diukendjieva et al., Am J Ethnomed 2018, Volume 5 DOI: 10.21767/2348-9502-C1-
American Journal of Ethnomedicine
April 16- 17, 2018 Amster d am , N et h er l an d s
Pharmacognosy and
Medicinal Plants
Statement of the Problem: The metabolic syndrome (MS) represents a complex pathological condition featured by hypertension, type 2 diabetes (T2D) and obesity. It is among the risk factors for development of cardiovascular diseases (CVD) and is characterized by increasing global prevalence. Modulation of the nuclear peroxisome proliferator-activated receptor γ (PPARγ) by natural compounds is considered a promising pharmacological strategy for targeting the MS. Within this study, we aimed at applying a virtual screening protocol for investigating the potential of triterpenoid sapogenins of natural origin to act as PPARγ partial agonists. Furthermore, an in silico estimation of their safety profile has been performed.
Methodology & Theoretical Orientation: An in-house virtual library with more than 70 triterpenoids had been screened by a pharmacophore-based docking of the unique aglycons in the PPARγ binding pocket using MOE software (v.2016.0802). The toxicity of these aglycons was evaluated using Derek Nexus knowledge-based system (v.5.0.1.).
Findings: Potential partial agonist-like binding modes were evaluated based on the binding energy scores of the protein- ligand (PL) complexes resulting from the docking simulation. The PL interactions and poses relevant to the PPARγ partial agonists’ binding pattern were predicted. Potential toxicity effects, including chromosome damage and developmental toxicity, were outlined for particular triterpenoid aglycons.
Conclusion & Significance: The results of this study contribute to the mechanistic explanation at molecular level of the effects of triterpenoid saponins/sapogenins by a potential PPARγ-mediated mode of action. This research can direct further studies of naturally-derived triterpenoids as potential MS modulators.
In silico studies of plant triterpenoids: pharmacophore-based
virtual screening and toxicity evaluation
(^1) Bulgarian Academy of Sciences, Bulgaria (^2) Medical University of Sofia, Bulgaria
Merilin Al Sharif et al., Am J Ethnomed 2018, Volume 5 DOI: 10.21767/2348-9502-C1-