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Design of Tetra-Peptide Ligands of Antibody Fc Regions Using In Silico Combinatorial Library Screening
Marko Jukič, Sebastjan Kralj, Anja Kolarič, Urban Bren, 2023, izvirni znanstveni članek

Opis: Abstract Peptides, or short chains of amino-acid residues, are becoming increasingly important as active ingredients of drugs and as crucial probes and/or tools in medical, biotechnological, and pharmaceutical research. Situated at the interface between small molecules and larger macromolecular systems, they pose a difficult challenge for computational methods. We report an in silico peptide library generation and prioritization workflow using CmDock for identifying tetrapeptide ligands that bind to Fc regions of antibodies that is analogous to known in vitro recombinant peptide libraries’ display and expression systems. The results of our in silico study are in accordance with existing scientific literature on in vitro peptides that bind to antibody Fc regions. In addition, we postulate an evolving in silico library design workflow that will help circumvent the combinatorial problem of in vitro comprehensive peptide libraries by focusing on peptide subunits that exhibit favorable interaction profiles in initial in silico peptide generation and testing.
Ključne besede: peptide design, in silico combinatorial library, peptide combinatorial library, peptide library design, high-throughput virtual screening, peptide molecular docking, antibody purification, peptide drug design, recombinant peptide libraries
Objavljeno v DKUM: 01.12.2023; Ogledov: 150; Prenosov: 11
.pdf Celotno besedilo (8,11 MB)
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Residual dyebath purification using a system of constructed wetland
Alenka Ojstršek, Darinka Fakin, Danijel Vrhovšek, 2007, izvirni znanstveni članek

Opis: A constructed wetland model, comprising two different substrate mixtures, was used to purify textile dyebath wastewater. Three laboratory prepared wastewaters containing three commercial dyes of different classes and chemicalconstitution (one vat and two reactive dyes), different chemicals (NaOH, NaCl) and auxiliaries (migration inhibitor, sequestering, defoaming andwetting agents) were employed. Purifying efficiency was verified by measuring pollution parameters, such as absorbance, pH, total organic carbon (TOC), chemical oxygen demand (COD) and electrical conductivity (EC). It was found that the constructed wetland model reduced dye concentration by up to 70%, lowered the TOC and COD values up to 88%, electrical conductivity up to 60% and pH from 12 to 7.6.
Ključne besede: textile dyeing, reactive dyes, vat dyes, wastewater treatment, constructed wetland model, biological treatment, purification
Objavljeno v DKUM: 01.06.2012; Ogledov: 2084; Prenosov: 93
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