Shamila Alipoor Astaneh; Zarrin Minuchehr; Armin Madadkar-Sobhani; Mehran Miroliaei
Abstract
A progressive computational analysis of available sequence and crystal structure data was used to identify functionally and structurally important residues in medium-chain Alcohol dehydrogenases super family throughout evolution. Altman and Gretsine core finding method was used to identify a core set ...
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A progressive computational analysis of available sequence and crystal structure data was used to identify functionally and structurally important residues in medium-chain Alcohol dehydrogenases super family throughout evolution. Altman and Gretsine core finding method was used to identify a core set of atoms with low structural variability. With further analysis of core regions in ADHs (solvent exposure and number of contacts) and also sequential analysis, we could infer the common properties of highly conserved positions in ADHs. The sequential analysis was done with respect to some special properties of amino acids in order to derive the level of conservation. The core structure analysis was re-judged in light of sequential analysis. Sixty percent of the core positions correspond to the highly conserved positions that were found by the sequence analysis.It seems that the core positions in ADHs are responsible for the maintenance of structural integrity and also contribute to the active site. Location of rigid parts of structures in catalytic domain may help to minimize the thermal fluctuation effect on substrate binding and would probably keep the structure in a good condition. Our data supports that it is possible to define patterns of conservity in some important region in sequence of Alcohol dehydrogenase and explain patterns of structural stability which are necessary for overcoming throughout evolution.
Najaf Allahyari Fard; Zarrin Minuchehr; Masoud Rahgozar; Abdolmanan Owrang; Mohammad Fazilati
Abstract
World Allergy Organization has stated that approximately one third of the world population is affected by allergy. Based on regulation of World Health Organization (WHO) allergenicity assessment of recombinant proteins is essential. Allergenicity assessment is facilitated by achieved progress in the ...
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World Allergy Organization has stated that approximately one third of the world population is affected by allergy. Based on regulation of World Health Organization (WHO) allergenicity assessment of recombinant proteins is essential. Allergenicity assessment is facilitated by achieved progress in the determination of 3D structural of allergens and Bioinformatics analysis. Bioinformatics analysis is primary step in allergenicity assessment of recombinant proteins that its result has an important role in weight of evidences. The efficacy of bioinformatics analysis for allergenicity assessment of recombinant proteins depends directly on the nature and content of the databases using for analysis. The aims of this investigation were study and determination of suitable allergen sequence databases for allergenicity assessment of recombinant proteins. Therefore, allergen databases were categorized after comparative study in three groups; A- General, B- molecular analysis and C- motif and epitope. Results indicate that these databases differ in content, organization, and capabilities. In order to get better and more precise results, the bioinformatics assessment must perform with group of allergen sequence databases. Because of number of data and different algorithms about prediction of allergenicity, we recommend FARRP, SDAP, Allergome, ADFS, and Alegpred for bioinformatics allergenicity assessment of recombinant proteins. Also in silico allergenecity assessment of Osmotin was done in this study. The results showed that Osmotin is allergen based on bioinformatic analysis.
