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Open Access Article
1 - Benzofurans nor-sesquiterpenoids from Petasites hybridus rhizomes and absolute configuration by circular dichroism
Hanieh Asadi Samad Nejad Ebrahimi Marzieh Omrani Hassan EsmaeiliPetasites hybridus (L.) G.Gaertn., B.Mey. & Scherb. has been used as a medicine for different illnesses. A phytochemical study on hexane extract has been carried out using normal phase silica gel column and RP-HPLC chromatography. Five sesquiterpenoids were isolated MorePetasites hybridus (L.) G.Gaertn., B.Mey. & Scherb. has been used as a medicine for different illnesses. A phytochemical study on hexane extract has been carried out using normal phase silica gel column and RP-HPLC chromatography. Five sesquiterpenoids were isolated, purified, and identified from hexane extract. The structures were elucidated by applying extensive 1D and 2D NMR and HRESI-TOFMS spectroscopy. In addition, circular dichroism (CD) spectra were applied to determine absolute configurations of constituents. Two never described benzofuran nor-sesquiterpenes (2S,3S)-5'-acetyl-(Z)-3-(acetoxymethyl) but-2-enoate tremetone) (4) and (2R,3R)-5'-acetyl-(Z)-3-(acetoxymethyl) but-2-enoate-7-hydroxytremetone (5) as well as euparin (1), (2S,3R)-3,6-dihydroxytremetone (2), and (2S,3S)-3,6-dihydroxytremetone (3) were isolated from the rhizome of Petasites hybridus, a species in Flora of Iran. Also, the euparin content of the MeOH extracts of seven populations of Iran was measured by HPLC-PDA. Notably, isolated euparin was the main constituent of Iranian P. hybridus varying between 2.7 and 9.7 µg/mg among samples. Manuscript profile -
Open Access Article
2 - Investigation of inhibitory properties of triphenyl-LasR enzyme involved in the quorum sensing of Pseudomonas aeruginosa by molecular modeling
Mahshad Shahriari Faezeh Nourmandipour Samira Norouzi Samad Nejad EbrahimiQuorum sensing (QS) is a bacterial communication mechanism that regulates the production of many pathogenic factors, including the formation of pigments and the ability to form biofilms that are essential for chronic infections. For discovering new inhibitors on the for MoreQuorum sensing (QS) is a bacterial communication mechanism that regulates the production of many pathogenic factors, including the formation of pigments and the ability to form biofilms that are essential for chronic infections. For discovering new inhibitors on the formation of biofilm formation, over 700 synthetic and natural compounds have been virtually screened against the triphenyl-LasR enzyme involved in Pseudomonas aeruginosa’s QS system. The 3D-QSAR studies revealed the relationship between the quantitative structure of compounds and their activity. The drug-like properties of compounds and effective pharmacophore features on the ligand interaction with protein were investigated by ADME and E-pharmacophore analysis. According to the obtained results, we identified compound with PubChem ID 118732838 with the glide score of -12.34 kcal/mol and oral absorption of 58.75% as the potential compound for inhibiting triphenyl-LasR protein. The study outcomes can help us to identify new drugs to inhibit biofilm formation and decrease bacterial resistance. Manuscript profile -
Open Access Article
3 - Phytochemical studies of Tetrataenium nephrophyllum and anti-acetylcholinesterase activities
Mehdi Abbasi Marzie Omrani Leila Raiatparvar Malieki Ali Sonboli Samad Nejad EbrahimiTetrataenium nephrophyllum belonging to the Apiaceae family grows widely in the West Azerbaijan province of Northwestern Iran. It is an aromatic plant that has been used as food spices by local people. In this research work, the phytochemical composition of n-hexane ext MoreTetrataenium nephrophyllum belonging to the Apiaceae family grows widely in the West Azerbaijan province of Northwestern Iran. It is an aromatic plant that has been used as food spices by local people. In this research work, the phytochemical composition of n-hexane extract from the aerial parts of this plant has been investigated. The fractionation of the n-hexane extract by normal phase column chromatography resulted in the isolation, purification, and identification of five compounds. The structural elucidation was accomplished by extensive spectroscopic methods, including 1D and 2D NMR experiments (1H-NMR, H-H-COSY, HSQC, HMBC, and NOESY) as well as ESI-MS analysis. The isolated compounds were 5-geranyloxycoumarin (1), isobergapten (2), pimpinellin (3), β-sitosterol (4) and dammara- 20,23-dien-3β,25-diol. The acetylcholinesterase inhibitory activity of the isolated compound was evaluated by experimental and molecular docking methods. Compound 3 showed the best acetylcholinesterase inhibitory with an IC50 value of 0.208 μM and docking score of -7.5 kcal/mol. Manuscript profile -
Open Access Article
4 - Enrichment of polyphenolic compounds from grape leaf extract (Vitis vinifera L.) using macroporous resin and investigating its adsorption kinetics and dynamics
Nadia Sobhani Mahshad Shahriari Mohammad Hossein Jabbari Samad Nejad EbrahimiVitis vinifera L. with common name of grape is native to Mediterranean region and today is grown all over the world.آHere, the adsorption/desorption process on LXA-10 resin was investigated to enrich polyphenolic compounds of grape extract. The extract was obtained usin MoreVitis vinifera L. with common name of grape is native to Mediterranean region and today is grown all over the world.آHere, the adsorption/desorption process on LXA-10 resin was investigated to enrich polyphenolic compounds of grape extract. The extract was obtained using ultra-sound-assisted probe with water and ethanol (50:50) with an extraction yield of 26.4%. The pH value of the extract for maximum adsorption was optimized at 3.26. According to the findings of this study, the kinetic adsorption fitted well with pseudo-second-order model (R2=0.99). Moreover, the dynamic study revealed the adsorption capacity and required solvent for polyphenolic desorption being 42 mL and six-bed volume (BV), respectively. In the enriched powder, the amount of quercetin-O-3-glucuronide and quercetin-O-3-glucoside increased from the ranges of 19.43 to 45.92 mg.g-1 and 41.244 to 72.88 mg.g-1, respectively. The antioxidant activity of enriched polyphenols also increased from 252.37 in initial grape extract to 408.03 mM iron (II).mg-1. Manuscript profile
List of Articles صمد نژاد ابراهیمی
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