scholarly journals The use of UniProtKB/BIOPEP for the analysis of oat globulin physicochemical parameters and bioactivity

2018 ◽  
Vol 36 (No. 2) ◽  
pp. 119-125 ◽  
Author(s):  
Szerszunowicz Iwona ◽  
Nałęcz Dorota

The physico-chemical properties of oat proteins (globulins) were determined and an analysis was done whether products of in silico proteolysis contain mono- and multi-functional peptides with various biological activity. The MW(s), calculated by the ProtParam program, for precursors of 12S and 11S globulins and proteins without signal peptides were in the range of 50.78–61.86 kDa. The pH at which the solubility of the proteins under analysis was the lowest ranged from 7.29 to 9.44. A simulation of proteolysis with three enzymes (pepsin, trypsin, and chymotrypsin A) in the optimum conditions of the enzyme action can produce 6–8 bi-functional, 5–10 mono-functional biopeptides from oat globulins (12S, 11S globulins), and one tri-functional biopeptide (VY). The mono-functional biopeptides exhibited the activity of DPPIV inhibitors or ACE inhibitors, and the multi-functional biopeptides can exhibit the activity of inhibitors of both enzymes (DPPIV and ACE). Sensory peptides accounted for 43% of all the released mono- and multi-functional biopeptides.

Nanomaterials ◽  
2021 ◽  
Vol 11 (8) ◽  
pp. 1883
Author(s):  
Martin Pisárčik ◽  
Miloš Lukáč ◽  
Josef Jampílek ◽  
František Bilka ◽  
Andrea Bilková ◽  
...  

Phosphorus-containing heterocyclic cationic surfactants alkyldimethylphenylphospholium bromides with the alkyl chain length 14 to 18 carbon atoms were used for the stabilization of silver nanodispersions. Zeta potential of silver nanodispersions ranges from +35 to +70 mV, which indicates the formation of stable silver nanoparticles (AgNPs). Long-chain heptadecyl and octadecyl homologs of the surfactants series provided the most intensive stabilizing effect to AgNPs, resulting in high positive zeta potential values and smaller diameter of AgNPs in the range 50–60 nm. A comparison with non-heterocyclic alkyltrimethylphosphonium surfactants of the same alkyl chain length showed better stability and more positive zeta potential values for silver nanodispersions stabilized with heterocyclic phospholium surfactants. Investigations of biological activity of phospholium-capped AgNPs are represented by the studies of antimicrobial activity and cytotoxicity. While cytotoxicity results revealed an increased level of HepG2 cell growth inhibition as compared with the cytotoxicity level of silver-free surfactant solutions, no enhanced antimicrobial action of phospholium-capped AgNPs against microbial pathogens was observed. The comparison of cytotoxicity of AgNPs stabilized with various non-heterocyclic ammonium and phosphonium surfactants shows that AgNPs capped with heterocyclic alkyldimethylphenylphospholium and non-heterocyclic triphenyl-substituted phosphonium surfactants have the highest cytotoxicity among silver nanodispersions stabilized by the series of ammonium and phosphonium surfactants.


1997 ◽  
Vol 50 (12) ◽  
pp. 983-991 ◽  
Author(s):  
VINOD R. HEGDE ◽  
PING DAI ◽  
MIN CHU ◽  
MAHESH PATEL ◽  
ROBERT BRYANT ◽  
...  

1990 ◽  
Vol 43 (5) ◽  
pp. 449-455 ◽  
Author(s):  
AKIHIKO FUJIE ◽  
TOSHIRO IWAMOTO ◽  
NOBUHARU SHIGEMATSU ◽  
MASAMI EZAKI ◽  
MOTOHIRO HINO ◽  
...  

2001 ◽  
Vol 54 (1) ◽  
pp. 74-83 ◽  
Author(s):  
VINOD R. HEGDE ◽  
JACK SILVER ◽  
MAHESH PATEL ◽  
VINCENT P. GULLO ◽  
RAYMOND YARBOROUGH ◽  
...  

1992 ◽  
Vol 45 (9) ◽  
pp. 1467-1471 ◽  
Author(s):  
MLTSUAKI TSUNAKAWA ◽  
NOBUJIRO KOMIYAMA ◽  
OSAMU TENMYO ◽  
KOJI TOMITA ◽  
KIMIO KAWANO ◽  
...  

2020 ◽  
Vol 71 (2) ◽  
pp. 121-127
Author(s):  
Antonina Gritco-Todirascu ◽  
Dorina Emilia Creanga ◽  
Liliana Mihaela Ivan ◽  
Dana Ortansa Dorohoi ◽  
Anamaria Ciubara

The present paper is focused on determination of the main parameters of Chlortetracycline. Chlortetracycline belongs to one of the most used family of antibiotics worldwide, Tetracyclines. Because of the large spectrum of infections which can be treated with this category of antibiotics there are attempts to find new derivatives from this class. The compounds derived from the same basic structure exhibit same chemical properties, that is why knowing in detail the main physico-chemical properties of Chlortetracycline could be a real help in synthesize new efficient derivatives. In order to evaluate the reactivity and biological activity HyperChem was used to establish the optimized structure, the electro-optical, the energetic and QSAR parameters. The solvatochromic methods allowed determining the intermolecular interactions types and their contribution to the spectral shifts of measured electronic absorption bands. Based on computational and solvatochromic results, the excited state dipole moment of Chlortetracycline was established by variation method.


Author(s):  
Z. Abdulhamid ◽  
E.B. Agbaji ◽  
C.E. Gimba ◽  
A.S. Agbaji

Physico-chemical properties and heavy metals content of soils were determined from seven farms in Minna, central Nigeria. Conventional analytical methods were employed to determine the physico-chemical properties and the heavy metals were analysed by atomic absorption spectrometry. The result showed that pH values ranged from 6.64 - 7.70 indicating slight acidity to slight alkalinity of the soils. The total organic carbon values ranged from 0.95-2.25 % resulting in the presence of organic matter (1.63-3.87). The electrical conductivity values ranged from 17-37 μS/cm. The cation exchange capacity of the soil samples ranged from 3.68-5.15 cmol/kg. The heavy metals levels were in the following range: Cd (0.00018-0.00134 mg/g), Cu (0.0069-0.0476 mg/g), Fe (1.942-2.2059 mg/g), Mn (0.1825-0.3696 mg/g), Ni (0.0065-0.0069 mg/g) and Zn (0.0157-0.2252 mg/g). The concentration of the metals in the soil samples varied according to the following trend: Fe>Mn>Zn> Cu>Ni>Cd. The average concentration of all the metals in each farm also gave the trend Farm B>Farm G>Farm E>Farm C>Farm F>Farm D>Farm A. The findings indicate the presence of heavy metals in all the farms but only Fe was above the FAO/WHO standards.


Author(s):  
Bakhtiyor Rasulev ◽  
Danuta Leszczynska ◽  
Jerzy Leszczynski

Here, the authors show that an application of the QSAR methods for nanomaterials is nevertheless possible and can be useful in predicting their various properties and activities (toxicity). In the chapter briefly explained how the physico-chemical properties can be predicted for nanomaterials. Furthermore, it was also demonstrated how the biological activity, particularly toxicity, can be modeled and predicted for the series of nanoparticles, by applying the quantum-chemical methods in combination with the nano-QSAR.


2014 ◽  
pp. 1071-1089
Author(s):  
Bakhtiyor Rasulev ◽  
Danuta Leszczynska ◽  
Jerzy Leszczynski

Nanomaterials are becoming an important component of the modern life and have been the subject of increasing number of investigations involving various areas of natural sciences and technology. However, theoretical modeling of physicochemical and biological activity of these species is still very scarce. The prediction of the properties and activities of ‘classical’ substances via correlating with molecular descriptors is a well known procedure, i.e. QSAR. In spite of this, the application of QSAR for the nanomaterials is a very complicated task, because of “non-classical” structure of nanomaterials. Here, the authors show that an application of the QSAR methods for nanomaterials is nevertheless possible and can be useful in predicting their various properties and activities (toxicity). In the chapter briefly explained how the physico-chemical properties can be predicted for nanomaterials. Furthermore, it was also demonstrated how the biological activity, particularly toxicity, can be modeled and predicted for the series of nanoparticles, by applying the quantum-chemical methods in combination with the nano-QSAR.


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