Pierce into the Native Structure of Ata, a Trimeric Autotransporter of Acinetobacter baumannii ATCC 17978

Abstract

Acinetobacter baumannii is an important pathogen responsible for nosocomial infections worldwide. Trimeric autotransporters, the obligate homotrimeric adhesins, are involved in adherence of bacterial cells to various surfaces. These sorts of adhesins were shown to be expressed by A. baumannii. Trimeric autotransporters are modular virulence factors, containing numerous domains and structural architectures. The better understanding of the sequence and structural features of virulence factors are crucial in designing new therapeutic strategies. In this regard, with the aid of reliable in silico tools and the concept of "inherence through homology", some sequence and structural features of Ata A.baumannii were unveiled. Domain architectures such as the position of repetitive modules, and coiled-coils, along with the prediction of tertiary and quaternary structures, allows us to define some important landscapes of Ata A.baumannii virulence factor. In addition, through CLANS analysis of TAA sequences of Moraxellaceae family, it was concluded that Ata contains several conserved of structural blocks of TAAs. The protein is initiated with extended signal peptide region, a stalk of several head domains and a membrane anchoring region. The globular heads are connected to each other by neck mediators and coiled-coil regions. Several fibronectin and collagen binding sites were defined within the structures. Minimal and maximal frustrated contacts are distributed within the structure of Ata, which suggest both the flexibility and toughness. These are come together for creating an efficient adhesin which is able to bind and bend through multiple sites. The protein could be great target for designing new vaccines or anti-virulence drug.

SARS-CoV-2 Proteome Harbors Peptides Which Are Able to Trigger Autoimmunity Responses: Implications for Infection, Vaccination, and Population Coverage

“…In the present study, we aimed to analyze the whole proteome of the SARS-CoV-2 for potential antigenic regions capable of triggering autoimmune responses. In silico studies have already been widely used to solve biological challenges (33)(34)(35)(36)(37)(38)(39)(40)(41). Various in silico tools have been harnessed to analyze the MHC2 binding epitopes of the SARS-CoV-2 proteome and assess their possible involvement in ADs.…”

Insights on Antimicrobial Peptides

“…The biosynthesis of AMPs can be a starting point for obtaining AMPS with functions similar to natural ones, being an attractive therapeutic option for preventing and controlling infections. In this sense, bioinformatics and computer science have been widely used in various aspects in many studies of A. baumannii, such as design evaluation of AMPs [136,[204][205][206][207][208], which includes two general principles that increased antimicrobial activity and reduced toxicity against eukaryotic cells [209,210]. As an example of synthetic AMPs, we have stapled AMP [137] and PNA (RXR) 4XB, an antisense nucleic acid peptide compound [138] with intense bactericidal activity.…”

Peptides with Therapeutic Potential against Acinetobacter baumanii Infections

“…The biosynthesis of AMPs can be a starting point for obtaining AMPS with functions similar to natural ones, being an attractive therapeutic option for preventing and controlling infections. In this sense, bioinformatics and computer science have been widely used in various aspects in many studies of A. baumannii, such as design evaluation of AMPs [136,[204][205][206][207][208], which includes two general principles that increased antimicrobial activity and reduced toxicity against eukaryotic cells [209,210]. As an example of synthetic AMPs, we have stapled AMP [137] and PNA (RXR) 4XB, an antisense nucleic acid peptide compound [138] with intense bactericidal activity.…”